SCHEMBL687578

SCHEMBL687578

O=c1[nH]c2c(=O)n(Cc3ccc(Cl)cc3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.48
VEGFA P15692 2/20 0.46
EGLN1 Q9GZT9 2/20 0.46
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
POLB P06746 3/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM5 P41594 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
TSHR P16473 1/20 0.40
NOS3 P29474 1/20 0.40

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
SCHEMBL688045 0.87 MAPT (0.55) MAPTTHRBLMNAHTTPOLB
SCHEMBL687659 0.87 MAPT (0.50) MAPTTHRBLMNAPOLBTP53
SCHEMBL688361 0.87 MAPK14 (0.43) VEGFAEGLN1LMNAHTTPOLB
SCHEMBL686689 0.87 DBH (0.43) MAPTLMNAHTTPOLBTP53
SCHEMBL688410 0.85 EGLN1 (0.52) MAPTTHRBEGLN1LMNAHTT
SCHEMBL686730 0.84 KDM4E (0.46) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL687779 0.84 MAPT (0.49) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL687635 0.84 HDAC3 (0.41) MAPTPOLBTP53ALDH1A1KDM4E
SCHEMBL688177 0.83 SMN1; SMN2 (0.45) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL687245 0.81 GRM2 (0.43) MAPTLMNAALDH1A1TSHR

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 MAPT 2314/4885THRB 395/4885VEGFA 229/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MAPT 2566/4885THRB 744/4885VEGFA 180/4885

“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.