SCHEMBL4030344

SCHEMBL4030344

N#Cc1ccccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CARM1 Q86X55 2/20 0.47
PRMT1 Q99873 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.45
IDO1 P14902 2/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
HTR6 P50406 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10431653 0.80 CYP2D6 (0.53) NPC1RAB9AATML3MBTL1CYP2D6
SCHEMBL448079 0.79 MAOB (0.57) MAPTATML3MBTL1ALDH1A1
SCHEMBL16060368 0.78 MRGPRX4 (0.51) NPC1RAB9AMAPTALDH1A1CYP2D6
SCHEMBL13192152 0.77 ATM (0.52) NPC1RAB9AATML3MBTL1ALDH1A1
SCHEMBL11091804 0.76 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1CYP2D6
SCHEMBL6327122 0.76 NPC1 (0.57) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL5521356 0.76 FFAR1 (0.47) NPC1RAB9AMAPTATML3MBTL1
SCHEMBL28051292 0.76 ATM (0.51) NPC1RAB9AATML3MBTL1ALDH1A1
SCHEMBL18959092 0.76 L3MBTL1 (0.51) MAPTATML3MBTL1IDO1HTR6
SCHEMBL19427248 0.76 L3MBTL1 (0.51) NPC1RAB9AMAPTATML3MBTL1

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 1869/4885MAPT 3658/4885

“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.