SCHEMBL688182

SCHEMBL688182

O=c1[nH]c2c(=O)n(Cc3cccc(Cl)c3Cl)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.44
PIK3CD O00329 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 3/20 0.41
PIK3CA P42336 2/20 0.41
CYP2A13 Q16696 2/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRM5 P41594 1/20 0.34
PTGER3 P43115 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL687519 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2APTGER3
SCHEMBL688136 0.86 NPSR1 (0.46) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL686814 0.81 LMNA (0.55) CYP2A13ALDH1A1KDM4EPOLBMEN1
SCHEMBL688177 0.80 SMN1; SMN2 (0.45) DBHCYP2A13ALDH1A1KDM4EMEN1
SCHEMBL686785 0.80 HDAC3 (0.41) CYP2A13ALDH1A1KDM4EPOLBGRM5
SCHEMBL688408 0.80 THRB (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL687826 0.80 POLB (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL688361 0.79 MAPK14 (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL687668 0.78 PTGER3 (0.39) DBHALDH1A1KDM4EMEN1KMT2A
SCHEMBL687067 0.78 LMNA (0.47) ALDH1A1KDM4EPOLBGRM5PTGER3

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 8 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
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 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 DBH 3405/4885PIK3CD 1459/4885PIK3CB 1692/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 DBH 3497/4885PIK3CD 2307/4885PIK3CB 2332/4885

“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.