SCHEMBL686730

SCHEMBL686730

O=c1[nH]c2c(=O)n(Cc3ccc(C(F)(F)F)cc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.41
P2RX3 P56373 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
GRM5 P41594 1/20 0.37
DAO P14920 3/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
CHRM5 P08912 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL687635 0.87 HDAC3 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL687792 0.85 MAPT (0.54) KDM4EALDH1A1SMN1; SMN2MAPTGRM5
SCHEMBL687659 0.85 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL687245 0.84 GRM2 (0.43) ALDH1A1MAPTDAOCHRM5LMNA
SCHEMBL687578 0.84 MAPT (0.48) KDM4EALDH1A1MAPTP2RX3GRM5
SCHEMBL687827 0.83 TRAP1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTGRM5
SCHEMBL688045 0.83 MAPT (0.55) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL688361 0.82 MAPK14 (0.43) KDM4EALDH1A1SMN1; SMN2LMNATP53
SCHEMBL687779 0.80 MAPT (0.49) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL686689 0.80 DBH (0.43) KDM4EALDH1A1SMN1; SMN2MAPTEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP disclosed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-6515155-B1 Group 4 metal complexes of the constrained geometry type, catalysts derived therefrom and polymerization processes using the same, characterized by a nitrogen containing aliphatic or cycloaliphatic moiety that is substituted with one or more DOW GLOBAL TECHNOLOGIES INC. 2003-02-04 US disclosed
EP-1253158-A1 Substituted group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2002-10-30 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 KDM4E 2631/4885ALDH1A1 53/4885SMN1; SMN2 2958/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KDM4E 3292/4885ALDH1A1 57/4885SMN1; SMN2 2960/4885

“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.