SCHEMBL687659

SCHEMBL687659

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 5/20 0.47
TP53 P04637 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
DBH P09172 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL687578 0.87 MAPT (0.48) MAPTTHRBALDH1A1TP53KDM4E
SCHEMBL688045 0.86 MAPT (0.55) MAPTTHRBALDH1A1TP53KDM4E
SCHEMBL688361 0.86 MAPK14 (0.43) ALDH1A1TP53KDM4EMAPK14GAA
SCHEMBL686730 0.85 KDM4E (0.46) MAPTALDH1A1TP53KDM4ELMNA
SCHEMBL687635 0.83 HDAC3 (0.41) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL687779 0.83 MAPT (0.49) MAPTALDH1A1TP53KDM4EMAPK1
SCHEMBL686689 0.83 DBH (0.43) MAPTALDH1A1TP53KDM4EMAPK1
SCHEMBL687668 0.82 PTGER3 (0.39) MAPTTHRBALDH1A1TP53KDM4E
SCHEMBL687245 0.82 GRM2 (0.43) MAPTALDH1A1LMNA
SCHEMBL687387 0.82 MAPT (0.37) MAPTTHRBALDH1A1TP53KDM4E

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 7 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-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
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 MAPT 2314/4885THRB 395/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MAPT 2566/4885THRB 744/4885ALDH1A1 57/4885

“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.