SCHEMBL688408

SCHEMBL688408

O=c1[nH]c2c(=O)n(Cc3ccccc3F)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL687541 0.85 LMNA (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL688370 0.85 MAPK14 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL687387 0.85 MAPT (0.37) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL687519 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL686785 0.84 HDAC3 (0.41) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL687826 0.84 POLB (0.49) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL687704 0.84 ADORA2A (0.38) ALDH1A1KDM4EKMT2ARXFP1POLB
SCHEMBL687175 0.82 TNF (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL687698 0.81 LMNA (0.51) ALDH1A1KMT2AMEN1LMNARXFP1
SCHEMBL687397 0.81 MCL1 (0.36) THRBALDH1A1KDM4ELMNAPOLB

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 THRB 395/4885ALDH1A1 53/4885KDM4E 2631/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 THRB 744/4885ALDH1A1 57/4885KDM4E 3292/4885

“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.