SCHEMBL687633

SCHEMBL687633

N#Cc1cccc(Cl)c1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MAPT P10636 2/20 0.42
ACP1 P24666 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRM5 P41594 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL688136 0.88 NPSR1 (0.46) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL686814 0.83 LMNA (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL688176 0.81 CYP19A1 (0.42) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL687067 0.80 LMNA (0.47) ALDH1A1KDM4EHPGDNPSR1ACP1
SCHEMBL688138 0.78 LMNA (0.39) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL688182 0.78 DBH (0.44) ALDH1A1KDM4ELMNAPOLBMEN1
SCHEMBL687519 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL687541 0.76 LMNA (0.42) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL688274 0.76 PKM (0.39) ACP1POLBPKMGRM5SLC22A12
SCHEMBL688361 0.74 MAPK14 (0.43) ALDH1A1KDM4EHPGDGAALMNA

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 ALDH1A1 53/4885KDM4E 2631/4885HPGD 1322/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KDM4E 3292/4885HPGD 1063/4885

“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.