SCHEMBL689307

SCHEMBL689307

CCCCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
ALDH1A1 P00352 7/20 0.57
MAPT P10636 8/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MGLL Q99685 2/20 0.45
MAPK1 P28482 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3072804 0.86 HTT (0.55) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL5507071 0.84 ALDH1A1 (0.54) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL689308 0.80 SMN1; SMN2 (0.64) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL688943 0.80 MAPT (0.47) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL21335533 0.79 MAPT (0.49) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL1879427 0.78 HDAC3 (0.56) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL1857541 0.78 MAPK1 (0.56) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL5507892 0.77 MAPT (0.69) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL1877455 0.77 EPHX2 (0.48) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL9954932 0.77 ALDH1A1 (0.46) HDAC3HDAC1HDAC2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135933-A1 PHOTOPROTECTIVE COMPOSITIONS COMPRISING PHOTOSENSITIVE 1,3,5-TRIAZINE COMPOUNDS, DIBENZOYLMETHANE COMPOUNDS AND SILICEOUS S-TRIAZINES SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS L'OREAL (FR) 2017-05-18 US disclosed
US-8999299-B2 Photoprotective cosmetic compositions comprising silicon-containing s-triazine compounds substituted with two aminobenzoate or aminobenzamide groups and non-silicon-containing lipophilic triazine compound UV-screening agents L'OREAL (FR) 2015-04-07 US disclosed
US-8747816-B2 UV-photoprotective compositions comprising diebenzoylmethane screening agents and silicon-containing s-triazine compounds substituted with two aminobenzoate or aminobenzamide groups L'OREAL (FR) 2014-06-10 US disclosed
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS L'OREAL (FR) 2013-01-10 US disclosed
US-8323624-B2 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2012-12-04 US disclosed
EP-1927343-B1 Photoprotective composition containing a photosensitive 1,3,5-triazine derivative, a dibenzoylmethane derivative and a siliceous s-triazine substituted with two aminobenzoate or aminobenzamide groups OREAL (FR) 2012-02-29 EP disclosed
EP-1927345-B1 Cosmetic composition containing the combination of a silicon-containing s-triazine substituted with two aminobenzoate or aminobenzamide groups and a silicon-free lipophilic triazine UV-screening agent OREAL (FR) 2012-01-18 EP disclosed
EP-1642893-B1 s-triazine compounds possessing two substituents selected from bulky para-aminobenzalmalonate and para-aminobenzalmalonamide groups and one aminobenzoate substituent, compositions and uses thereof OREAL (FR) 2011-05-25 EP disclosed
EP-1891079-B1 PHOTOSTABILIZATION OF A DIBENZOYLMETHANE BY A SILICON- CONTAINING S-TRIAZINE SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS; PHOTOPROTECTIVE COMPOSITIONS. NOVEL SILICON-CONTAINING S-TRIAZINE COMPOUNDS OREAL (FR) 2010-10-27 EP disclosed
US-20100003207-A1 Photoprotective compositions comprising photosensitive 1,3,5-triazine compounds, dibenzoylmethane compounds and siliceous s-triazines substituted with two aminobenzoate or aminobenzamide groups L'OREAL (FR) 2010-01-07 US disclosed
EP-1891079-A1 PHOTOSTABILIZATION OF A DIBENZOYLMETHANE BY A SILICON- CONTAINING S-TRIAZINE SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS; PHOTOPROTECTIVE COMPOSITIONS. NOVEL SILICON-CONTAINING S-TRIAZINE COMPOUNDS L'Oréal (FR) 2008-02-27 EP disclosed
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds L'OREAL (FR) 2008-01-10 US disclosed
US-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds L'OREAL, PARIS, FRANCE 2007-09-20 US disclosed
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds L'OREAL (FR) 2007-08-23 US disclosed
EP-1815886-A2 Compositions containing a UV-A filter of the dibenzoylmethane type and a s-triazine derivative; process of photostabilisation L'Oréal (FR) 2007-08-08 EP disclosed
EP-1815884-A2 Compositions containing an UV-B filter of the cinnamic acid ester type, a UV-A filter of the dibenzoylmethane type and a derivative of s-triazine; process of photostabilisation L'Oréal (FR) 2007-08-08 EP disclosed
EP-1815885-A2 Compositions containing a UV-B filter of the cinnamic acid ester type and a s-triazine derivative; process of photostabilising a UV-B filter of the cinnamic acid ester type L'Oréal (FR) 2007-08-08 EP disclosed
WO-2006128732-A1 PHOTOSTABILIZATION OF A DIBENZOYLMETHANE BY A SILICON- CONTAINING S-TRIAZINE SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS; PHOTOPROTECTIVE COMPOSITIONS. NOVEL SILICON-CONTAINING S-TRIAZINE COMPOUNDS L'OREAL (FR) 2006-12-07 WO disclosed
EP-1642893-A1 s-triazine compounds possessing two substituents selected from bulky para-aminobenzalmalonate and para-aminobenzalmalonamide groups and one aminobenzoate substituent, compositions and uses thereof L'OREAL (FR) 2006-04-05 EP disclosed
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2006-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds NISCH, SUN2, CDC73 HDAC3 1595/4885HDAC1 766/4885HDAC2 601/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST HDAC3 1160/4885HDAC1 738/4885HDAC2 1550/4885
US-20100003207-A1 Photoprotective compositions comprising photosensitive 1,3,5-triazine compounds, dibenzoylmethane compounds and siliceous s-triazines substituted with two aminobenzoate or aminobenzamide groups CUTA, TST, DSG1 HDAC3 2877/4885HDAC1 1797/4885HDAC2 974/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST HDAC3 1160/4885HDAC1 738/4885HDAC2 1550/4885
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds NISCH, SUN2, ERCC5 HDAC3 488/4885HDAC1 347/4885HDAC2 330/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH HDAC3 2252/4885HDAC1 1241/4885HDAC2 1574/4885
US-20170135933-A1 PHOTOPROTECTIVE COMPOSITIONS COMPRISING PHOTOSENSITIVE 1,3,5-TRIAZINE COMPOUNDS, DIBENZOYLMETHANE COMPOUNDS AND SILICEOUS S-TRIAZINES SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS CUTA, TST, DSG1 HDAC3 2877/4885HDAC1 1797/4885HDAC2 974/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.