SCHEMBL6037542

SCHEMBL6037542

Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.75
RAB9A P51151 3/20 0.75
CASP3 P42574 1/20 0.75
SENP7 Q9BQF6 1/20 0.75
KDM1A O60341 1/20 0.68
KMT2A Q03164 4/20 0.65
STING1 Q86WV6 1/20 0.64
CFTR P13569 5/20 0.63
PBRM1 Q86U86 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
IGF1R P08069 1/20 0.59
MET P08581 1/20 0.59
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL398976 0.90 CFTR (0.80) NPC1RAB9ACASP3SENP7CFTR
SCHEMBL4430677 0.88 CFTR (0.80) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL11921534 0.86 RAB9A (1.00) NPC1RAB9ACASP3SENP7KDM1A
SCHEMBL20567521 0.85 STING1 (0.64) NPC1RAB9AKMT2ASTING1CFTR
SCHEMBL20567704 0.85 STING1 (0.64) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL6037539 0.85 CFTR (0.63) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL20567856 0.85 CFTR (0.63) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL20567516 0.85 STING1 (0.64) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL29176613 0.85 MEN1 (0.69) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL28583845 0.84 NHERF1 (0.68) NPC1RAB9ACASP3SENP7KMT2A

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 1779/4885CASP3 966/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885CASP3 966/4885

“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.