SCHEMBL687494

SCHEMBL687494

CCCc1cn(Cc2ccccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
BRD4 O60885 1/20 0.38
PTGER3 P43115 4/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL686709 0.93 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1HTTADORA2A
SCHEMBL687777 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1HTTADORA2A
SCHEMBL686662 0.92 PTGER3 (0.41) ALDH1A1KMT2AMEN1ADORA2AADORA2B
SCHEMBL687901 0.86 MAPK1 (0.44) ALDH1A1KMT2AMEN1BRD4PTGER3
SCHEMBL687353 0.84 TRPC5 (0.39) KMT2AMEN1ADORA2AADORA2BADORA1
SCHEMBL687391 0.82 LMNA (0.41) ALDH1A1PTGER3MAPTSMN1; SMN2KDM4E
SCHEMBL687338 0.82 KMT2A (0.43) ALDH1A1KMT2AMEN1BRD4PTGER3
SCHEMBL687081 0.81 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1ADORA2AADORA1
SCHEMBL686829 0.79 MEN1 (0.39) ALDH1A1KMT2AMEN1BRD4SMN1; SMN2
SCHEMBL687519 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PTGER3SMN1; SMN2

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 6 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
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 53/4885KMT2A 3959/4885MEN1 3955/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KMT2A 3998/4885MEN1 3985/4885

“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.