SCHEMBL687547

SCHEMBL687547

[CH2]c1ccc(NC(=O)Nc2ccccc2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 6/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
HTT P42858 1/20 0.66
DDX3X O00571 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.54
IMPDH2 P12268 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51

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
SCHEMBL5852186 0.86 DDX3X (0.70) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL812756 0.86 DDX3X (0.80) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1275926 0.84 RAB9A (0.75) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3460449 0.83 DDX3X (0.70) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL17079606 0.83 RAB9A (0.66) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL17084259 0.83 RAB9A (0.67) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6799221 0.82 RAB9A (0.73) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6301846 0.81 KMT2A (0.63) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL17079626 0.81 RAB9A (0.73) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL16942599 0.81 RAB9A (0.62) RAB9ANPC1MAPTKMT2AMEN1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778717-A4 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2009-01-21 EP claimed
EP-1778717-A2 CELL ADHESION INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-02 EP claimed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US claimed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US claimed
US-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 US claimed
WO-2006019632-A2 CELL ADHESION INHIBITORS BIOGEN IDEC MA INC. (US) 2006-02-23 WO claimed
US-20060014966-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. 2006-01-19 US claimed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US claimed
EP-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
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
EP-1079825-B1 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2010-07-21 EP disclosed
EP-1567505-A4 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS SCHERING CORP (US) 2009-07-01 EP disclosed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP disclosed
WO-2000067746-A1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 WO disclosed
WO-2000068188-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 WO disclosed
US-6096773-A INHIBITOR OF BINDING OF INTEGRIN TO ITS RECEPTORS, SUCH AS (VASCULAR CELL ADHESION MOLECULE-1) AND FIBRONECTIN AND USEFUL FOR CONTROLLING THE DISEASES INDUCED BY BINDING TEXAS BIOTECHNOLOGY CORPORATION, INC. (US) 2000-08-01 US disclosed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO disclosed
WO-1999052493-A2 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO 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 (3 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM RAB9A 1137/4885NPC1 2287/4885MAPT 3852/4885
US-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 RAB9A 2552/4885NPC1 2235/4885MAPT 1259/4885
US-20060014966-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 RAB9A 2552/4885NPC1 2235/4885MAPT 1259/4885

“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.