SCHEMBL1856375

SCHEMBL1856375

O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.58
TP53 P04637 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
BCHE P06276 1/20 0.50
MAOB P27338 1/20 0.50
APP P05067 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CES1 P23141 2/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL8556148 0.90 GLO1 (0.56) FBP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL9476058 0.90 GLO1 (0.56) FBP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL1093528 0.85 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14477222 0.85 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1093526 0.85 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7245950 0.83 GLO1 (0.66) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3097865 0.82 ALDH1A1 (0.45) FBP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL3097859 0.82 ALDH1A1 (0.45) FBP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL2411848 0.82 KMT2A (0.59) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7900296 0.81 FBP1 (0.54) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-1568700-B1 S-triazine derivatives containing at least two silated p-aminobenzalmalonate groups, sunscreen compositions containing these derivatives as well as the use of the derivatives OREAL (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-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-1471059-B1 2,4,6-tris(dineopentyl 4'-aminobenzalmalonate)-s-triazin, sunscreen compositions containing this compound and its use OREAL (FR) 2007-06-27 EP 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
EP-1568700-A1 S-triazine derivatives containing at least two silated p-aminobenzalmalonate groups, sunscreen compositions containing these derivatives as well as the use of the derivatives L'OREAL (FR) 2005-08-31 EP disclosed
EP-1471059-A1 S-triazine derivatives having 3 particular para-aminobenzalmalonate groups ;sunscreen compositions containing these derivatives; and their use L'OREAL (FR) 2004-10-27 EP disclosed
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO 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 (4 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 FBP1 4261/4885TP53 56/4885ALDH1A1 928/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST FBP1 3305/4885TP53 82/4885ALDH1A1 623/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST FBP1 3305/4885TP53 82/4885ALDH1A1 623/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH FBP1 2954/4885TP53 23/4885ALDH1A1 1312/4885

“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.