SCHEMBL687210

SCHEMBL687210

Cc1cn(Cc2cccc(Cl)c2)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 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
SCHEMBL687150 0.86 TRPC5 (0.43) BRD4MAPTTP53EGLN1POLB
SCHEMBL687818 0.82 TP53 (0.47) MAPTTP53POLBHPGD
SCHEMBL687630 0.81 PKM (0.42) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL687951 0.81 MEN1 (0.44) SMN1; SMN2MAPK1KDM4EALDH1A1HPGD
SCHEMBL687558 0.80 HSP90AA1 (0.39) MAPTMAPK1HTR1ADRD2
SCHEMBL687652 0.80 PKM (0.43) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL688410 0.78 EGLN1 (0.52) MAPTTP53EGLN1RECQLSMN1; SMN2
SCHEMBL687901 0.78 MAPK1 (0.44) BRD4MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL688445 0.77 HPGD (0.36) BRD4HPGDCYP2C9
SCHEMBL687759 0.77 PKM (0.42)

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 BRD4 2449/4885MAPT 2314/4885TP53 2186/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 BRD4 2568/4885MAPT 2566/4885TP53 1640/4885

“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.