SCHEMBL1663657

SCHEMBL1663657

CCCOc1cc(N)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 2/20 0.61
USP2 O75604 2/20 0.61
POLB P06746 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ATM Q13315 1/20 0.61
CSNK2A1 P68400 2/20 0.51
SYK P43405 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46

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
SCHEMBL3786692 0.91 GLA (0.53) GAAMAPTALDH1A1MEN1USP2
SCHEMBL3788764 0.85 MAPT (0.66) GAAMAPTALDH1A1MEN1USP2
SCHEMBL3785602 0.85 MAPT (0.59) GAAMAPTALDH1A1MEN1USP2
SCHEMBL2227815 0.84 MAPT (0.50) GAAMAPTALDH1A1MEN1USP2
SCHEMBL3546055 0.83 SYK (0.51) GAAMAPTALDH1A1MEN1USP2
SCHEMBL21331696 0.82 SYK (0.48) GAAMAPTALDH1A1MEN1USP2
SCHEMBL6944870 0.81 GAA (0.70) GAAMAPTALDH1A1MEN1USP2
SCHEMBL5446140 0.81 GAA (0.65) GAAMAPTALDH1A1MEN1USP2
SCHEMBL30530347 0.81 GAA (0.65) GAAMAPTALDH1A1MEN1USP2
SCHEMBL26667637 0.81 ALDH1A1 (0.54) MAPTALDH1A1MEN1USP2POLB

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
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-4292070-A N-Substituted tetrahydrophthalimide and herbicidal composition MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1981-09-29 US 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 GAA 1755/4885MAPT 3312/4885ALDH1A1 4339/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 GAA 4248/4885MAPT 2714/4885ALDH1A1 2499/4885

“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.