SCHEMBL686689

SCHEMBL686689

O=c1[nH]c2c(=O)n(Cc3ccc(Cl)c(Cl)c3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.43
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
S1PR2 O95136 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90B1 P14625 2/20 0.39
TRAP1 Q12931 2/20 0.39
UBE2N P61088 1/20 0.39

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) DBHKDM4EALDH1A1HPGDMAPT
SCHEMBL688410 0.84 EGLN1 (0.52) DBHKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL687659 0.83 MAPT (0.50) DBHKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL688045 0.83 MAPT (0.55) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL688361 0.82 MAPK14 (0.43) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL686730 0.80 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL687779 0.80 MAPT (0.49) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL687635 0.80 HDAC3 (0.41) KDM4ESMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL687668 0.79 PTGER3 (0.39) DBHKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL688136 0.79 NPSR1 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT

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 3405/4885KDM4E 2631/4885SMN1; SMN2 2958/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 DBH 3497/4885KDM4E 3292/4885SMN1; 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.