SCHEMBL5852192

SCHEMBL5852192

[CH2]c1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.76
PRMT1 Q99873 1/20 0.66
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
NPC1 O15118 4/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
GAA P10253 2/20 0.60

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
SCHEMBL1516167 0.87 EPHX2 (1.00) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27735879 0.85 EPHX2 (0.96) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13290702 0.84 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9478851 0.84 EPHX2 (0.85) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5175200 0.84 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4420812 0.84 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21838034 0.83 GAA (0.83) EPHX2SMN1; SMN2ALDH1A1MAPTCA12
SCHEMBL10054999 0.83 EPHX2 (0.92) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19440741 0.82 EPHX2 (0.76) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14532314 0.82 EPHX2 (0.76) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 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 (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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM EPHX2 819/4885PRMT1 1045/4885RAB9A 1779/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM EPHX2 819/4885PRMT1 1045/4885RAB9A 1779/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM EPHX2 819/4885PRMT1 1045/4885RAB9A 1779/4885

“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.