SCHEMBL6797504

SCHEMBL6797504

COc1ccc(C(=O)c2cccc(N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.66
STS P08842 4/20 0.62
LMNA P02545 2/20 0.61
NPC1 O15118 2/20 0.61
MITF O75030 1/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 2/20 0.54
CTSL P07711 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HPGD P15428 1/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL10969744 0.88 ALDH1A1 (0.68) STSLMNANPC1ALDH1A1GAA
SCHEMBL11592342 0.87 PBRM1 (0.61) PBRM1STSLMNANPC1MITF
SCHEMBL8734462 0.86 PBRM1 (0.70) PBRM1STSLMNANPC1MITF
SCHEMBL203373 0.86 PBRM1 (0.88) PBRM1STSLMNANPC1MITF
SCHEMBL9097509 0.86 PBRM1 (0.88) PBRM1STSLMNANPC1MITF
SCHEMBL29492473 0.86 PBRM1 (0.88) PBRM1STSLMNANPC1MITF
SCHEMBL2303699 0.84 STS (0.72) STSLMNANPC1ALDH1A1GAA
SCHEMBL7908137 0.83 PBRM1 (0.66) PBRM1LMNANPC1MITFPOLB
SCHEMBL11710184 0.83 STS (0.67) PBRM1STSNPC1ALDH1A1RAB9A
SCHEMBL27399132 0.83 ALDH1A1 (0.62) STSLMNANPC1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
EP-0315140-B1 Non-linear optical device HITACHI LTD (JP) 1995-08-23 EP disclosed
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 US disclosed
US-4783472-A 1H,3H-pyrrol[1,2-c]thiazole derivatives and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1988-11-08 US disclosed
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
US-RE29032-E ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1976-11-09 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-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 PBRM1 82/4885STS 661/4885LMNA 3854/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 PBRM1 537/4885STS 69/4885LMNA 3681/4885

“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.