SCHEMBL4029474

SCHEMBL4029474

COc1ccc(COc2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAOB P27338 8/20 0.56
SMPD1 P17405 2/20 0.56
APP P05067 4/20 0.55
GPR34 Q9UPC5 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 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
SCHEMBL8549374 0.88 FFAR1 (0.60) NPC1RAB9AMAOBFFAR1FFAR4
SCHEMBL9189685 0.85 NPC1 (0.57) NPC1RAB9ATDP1MAOBSMPD1
SCHEMBL30344886 0.84 MAOB (0.69) MAOBSMPD1GPR34FFAR1FFAR4
SCHEMBL538272 0.84 MAOB (0.69) MAOBSMPD1GPR34FFAR1FFAR4
SCHEMBL2276512 0.84 MAOB (0.68) NPC1RAB9AMAOBAPPFFAR1
SCHEMBL27510264 0.83 MAOB (0.53) RAB9AMAOBSMPD1APPGPR34
SCHEMBL28999638 0.83 NR4A2 (0.58) NPC1RAB9AMAOBSMPD1APP
SCHEMBL1249009 0.82 GPR34 (0.58) MAOBSMPD1APPGPR34NR1H4
SCHEMBL16447550 0.81 MRGPRX4 (0.50) MAOBSMPD1GPR34NR1H4FFAR1
SCHEMBL23541335 0.80 FFAR1 (0.51) MAOBSMPD1GPR34NR1H4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US disclosed
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E NPC1 1567/4885RAB9A 1869/4885TDP1 922/4885

“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.