SCHEMBL688361

SCHEMBL688361

O=c1[nH]c2c(=O)n(Cc3ccccc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MCL1 Q07820 1/20 0.42
VEGFA P15692 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 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) MAPK14KDM4EALDH1A1VEGFAEGLN1
SCHEMBL688410 0.87 EGLN1 (0.52) KDM4EALDH1A1EGLN1HTTLMNA
SCHEMBL687659 0.86 MAPT (0.50) MAPK14KDM4EALDH1A1LMNAMEN1
SCHEMBL688045 0.86 MAPT (0.55) KDM4EALDH1A1HTTLMNAMEN1
SCHEMBL688300 0.84 MAPT (0.52) KDM4ELMNAMEN1POLBKMT2A
SCHEMBL687519 0.83 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL686730 0.82 KDM4E (0.46) KDM4EALDH1A1LMNATP53SMN1; SMN2
SCHEMBL687779 0.82 MAPT (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL686689 0.82 DBH (0.43) KDM4EALDH1A1HTTLMNAMEN1
SCHEMBL687635 0.82 HDAC3 (0.41) KDM4EALDH1A1POLBKMT2ATP53

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 MAPK14 2704/4885KDM4E 2631/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MAPK14 2275/4885KDM4E 3292/4885ALDH1A1 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.