SCHEMBL688259

SCHEMBL688259

O=c1[nH]c2c(=O)n(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL687792 0.89 MAPT (0.54) KDM4ESMN1; SMN2MAPTALDH1A1GAA
SCHEMBL686730 0.89 KDM4E (0.46) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL688030 0.81 MAPT (0.40) KDM4EHTTMAPTALDH1A1GAA
SCHEMBL687827 0.80 TRAP1 (0.44) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL687659 0.79 MAPT (0.50) KDM4ESMN1; SMN2MAPTALDH1A1GAA
SCHEMBL688361 0.79 MAPK14 (0.43) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL687635 0.79 HDAC3 (0.41) KDM4ESMN1; SMN2MAPTALDH1A1TP53
SCHEMBL687245 0.78 GRM2 (0.43) MAPTALDH1A1LMNATSHR
SCHEMBL687578 0.78 MAPT (0.48) KDM4EHTTMAPTALDH1A1LMNA
SCHEMBL687978 0.77 GRM2 (0.42) MAPTLMNATP53MAOB

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 KDM4E 2631/4885SMN1; SMN2 2958/4885HTT 3855/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KDM4E 3292/4885SMN1; SMN2 2960/4885HTT 3647/4885

“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.