SCHEMBL688410

SCHEMBL688410

O=c1[nH]c2c(=O)n(Cc3cccc(Cl)c3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45
DBH P09172 1/20 0.44
THRB P10828 1/20 0.44
GRM5 P41594 1/20 0.44
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL688361 0.87 MAPK14 (0.43) EGLN1TP53POLBLMNAALDH1A1
SCHEMBL687578 0.85 MAPT (0.48) EGLN1MAPTTP53POLBLMNA
SCHEMBL688300 0.85 MAPT (0.52) MAPTTP53POLBLMNAKDM4E
SCHEMBL686689 0.84 DBH (0.43) MAPTTP53POLBLMNAALDH1A1
SCHEMBL686626 0.82 MAPT (0.57) MAPTTP53POLBLMNAGRM5
SCHEMBL687663 0.82 KDM4E (0.39) EGLN1MAPTTP53POLBLMNA
SCHEMBL687792 0.82 MAPT (0.54) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL687222 0.81 ADRA1D (0.39) EGLN1MAPTTP53POLBLMNA
SCHEMBL688136 0.81 NPSR1 (0.46) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL688177 0.80 SMN1; SMN2 (0.45) MAPTLMNAALDH1A1SMN1; SMN2KDM4E

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 EGLN1 2368/4885MAPT 2314/4885TP53 2186/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 EGLN1 2124/4885MAPT 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.