SCHEMBL688136

SCHEMBL688136

O=c1[nH]c2c(=O)n(Cc3c(Cl)cccc3Cl)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 2/20 0.36
ACP1 P24666 1/20 0.36

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
SCHEMBL686814 0.91 LMNA (0.55) POLBSMN1; SMN2PKMLMNAHTT
SCHEMBL687633 0.88 ALDH1A1 (0.42) NPSR1POLBSMN1; SMN2PKMLMNA
SCHEMBL687067 0.88 LMNA (0.47) NPSR1POLBSMN1; SMN2PKMLMNA
SCHEMBL688138 0.86 LMNA (0.39) NPSR1POLBSMN1; SMN2PKMLMNA
SCHEMBL688182 0.86 DBH (0.44) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL687519 0.85 ALDH1A1 (0.45) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL687541 0.84 LMNA (0.42) POLBPKMLMNAMEN1KMT2A
SCHEMBL688274 0.84 PKM (0.39) POLBPKMGRM5ACP1MCL1
SCHEMBL688361 0.82 MAPK14 (0.43) POLBSMN1; SMN2LMNAHTTMEN1
SCHEMBL687578 0.81 MAPT (0.48) NPSR1POLBPKMLMNAHTT

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 NPSR1 1388/4885POLB 4218/4885SMN1; SMN2 2958/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 NPSR1 1185/4885POLB 4518/4885SMN1; 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.