SCHEMBL3146629

SCHEMBL3146629

Cc1cc(NC(=O)C(C)(C)C)ncc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ABL1 P00519 1/20 0.46
UHRF1 Q96T88 1/20 0.43
NNMT P40261 1/20 0.41
MAP4K1 Q92918 3/20 0.40
KDR P35968 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2731655 0.84 CNR2 (0.51) CNR2NPC1RAB9AABL1NNMT
SCHEMBL30207707 0.84 CNR2 (0.51) CNR2NPC1RAB9AABL1NNMT
SCHEMBL10223082 0.82 RAB9A (0.66) CNR2NPC1RAB9AABL1HTT
SCHEMBL2026558 0.81 L3MBTL1 (0.53) NPC1RAB9AABL1UHRF1NNMT
SCHEMBL3152277 0.81 HTT (0.50) CNR2NPC1RAB9AABL1NNMT
SCHEMBL8328430 0.81 NPC1 (0.48) CNR2NPC1RAB9AABL1NNMT
SCHEMBL26125387 0.80 GSK3B (0.46) UHRF1NNMT
SCHEMBL30298062 0.80 GSK3B (0.46) UHRF1NNMT
SCHEMBL8329180 0.79 CNR2 (0.53) CNR2NPC1RAB9AABL1KDR
SCHEMBL20772445 0.79 CNR2 (0.47) CNR2NPC1RAB9AABL1NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 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 (1 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CNR2 3316/4885NPC1 16/4885RAB9A 2242/4885

“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.