SCHEMBL688177

SCHEMBL688177

O=c1[nH]c2c(=O)n(Cc3ccc(Cl)cc3Cl)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
DBH P09172 1/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 4/20 0.41
CYP1A2 P05177 2/20 0.41
ADRA2A P08913 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL688209 0.85 GLRA3 (0.39) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL687519 0.85 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL687578 0.83 MAPT (0.48) MEN1KMT2AALDH1A1PKMDBH
SCHEMBL687668 0.81 PTGER3 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL688410 0.80 EGLN1 (0.52) SMN1; SMN2KMT2AALDH1A1DBHLMNA
SCHEMBL688182 0.80 DBH (0.44) MEN1KMT2AALDH1A1DBHLMNA
SCHEMBL686689 0.79 DBH (0.43) SMN1; SMN2MEN1KMT2AALDH1A1DBH
SCHEMBL687951 0.78 MEN1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1DBH
SCHEMBL688136 0.78 NPSR1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL687351 0.78 SLC5A1 (0.34) SMN1; SMN2DBHHTTTSHR

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 SMN1; SMN2 2958/4885MEN1 3955/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885MEN1 3985/4885KMT2A 3998/4885

“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.