SCHEMBL3343872

SCHEMBL3343872

COc1cc(N)c(Br)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
NPC1 O15118 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PKM P14618 1/20 0.41
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
NQO2 P16083 2/20 0.41
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD1 P21728 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL5866562 0.91 POLB (0.59) POLBL3MBTL1MAPTNPSR1GAA
SCHEMBL1770841 0.84 POLB (0.56) POLBL3MBTL1MAPTNPSR1GAA
SCHEMBL935876 0.84 POLB (0.67) POLBL3MBTL1MAPTNPSR1GAA
SCHEMBL10256995 0.84 CYP3A4 (0.55) POLBL3MBTL1MAPTNPSR1GAA
SCHEMBL23759796 0.82 L3MBTL1 (0.78) POLBL3MBTL1MAPTNPSR1GAA
SCHEMBL30052469 0.82 POLB (0.58) POLBL3MBTL1MAPTNPSR1NPC1
SCHEMBL23885270 0.82 POLB (0.58) POLBL3MBTL1MAPTNPSR1NPC1
SCHEMBL5951914 0.81 ALDH1A1 (0.48) POLBL3MBTL1MAPTGAAGFER
SCHEMBL16167828 0.81 L3MBTL1 (0.56) POLBL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL6314009 0.79 POLB (0.59) POLBL3MBTL1MAPTNPSR1GAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO disclosed
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 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 (4 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP POLB 2560/4885L3MBTL1 2837/4885MAPT 4111/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP POLB 2464/4885L3MBTL1 2970/4885MAPT 4102/4885
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 POLB 3584/4885L3MBTL1 380/4885MAPT 3902/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 POLB 4583/4885L3MBTL1 4218/4885MAPT 4401/4885

“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.