SCHEMBL689308

SCHEMBL689308

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 2/20 0.64
POLB P06746 3/20 0.62
MAPT P10636 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CES1 P23141 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5507071 0.86 ALDH1A1 (0.54) SMN1; SMN2HTTPOLBMAPTMEN1
SCHEMBL3072808 0.85 SMN1; SMN2 (0.80) SMN1; SMN2HTTPOLBMAPTMEN1
SCHEMBL13139938 0.85 SMN1; SMN2 (0.85) SMN1; SMN2HTTPOLBMAPTMEN1
SCHEMBL1857541 0.82 MAPK1 (0.56) HTTPOLBMAPTMEN1KMT2A
SCHEMBL28454641 0.81 TDP1 (0.53) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL689307 0.80 HDAC3 (0.58) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL8024809 0.79 NPC1 (0.50) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL16166459 0.78 MAPT (0.53) SMN1; SMN2HTTPOLBMAPTMEN1
SCHEMBL688944 0.78 POLB (0.70) SMN1; SMN2HTTPOLBMAPTMEN1
SCHEMBL24263392 0.77 POLB (1.00) SMN1; SMN2HTTPOLBRAB9ANPC1

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-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
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
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 SMN1; SMN2 4048/4885HTT 727/4885POLB 1103/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST SMN1; SMN2 4437/4885HTT 2552/4885POLB 589/4885
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 SMN1; SMN2 4239/4885HTT 1461/4885POLB 592/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST SMN1; SMN2 4437/4885HTT 2552/4885POLB 589/4885
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds NISCH, SUN2, ERCC5 SMN1; SMN2 3917/4885HTT 486/4885POLB 287/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH SMN1; SMN2 4202/4885HTT 385/4885POLB 1459/4885
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 SMN1; SMN2 4239/4885HTT 1461/4885POLB 592/4885

“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.