SCHEMBL6037540

SCHEMBL6037540

[CH2]c1ccc(NC(=O)c2ccc[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GFER P55789 1/20 0.58
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
TMIGD3 P0DMS9 1/20 0.52
ADORA1 P30542 1/20 0.52
SCN9A Q15858 2/20 0.52
KCNMA1 Q12791 1/20 0.47
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TYK2 P29597 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL29368677 0.84 NPC1 (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL4954697 0.84 NPC1 (0.59) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL6037543 0.83 KDM4E (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL22822554 0.83 RAB9A (0.58) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL16692690 0.83 NPC1 (0.58) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL7589089 0.83 KDM1A (0.61) NPC1RAB9AGFERKDM1ARCOR1
Hydrochloric Acid SCHEMBL31228757 0.82 KDM1A (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL18010023 0.79 NPC1 (0.55) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL4525537 0.78 SCN9A (0.57) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL12764088 0.76 FKBP5 (0.60) NPC1RAB9AGFERKDM1ARCOR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885GFER 1393/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885GFER 1393/4885

“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.