SCHEMBL527045

SCHEMBL527045

COc1c(Br)cncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
NQO2 P16083 2/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TPMT P51580 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL13724673 0.85 CA2 (0.37) CA2CA4NQO2CYP1A1CYP1B1
SCHEMBL14225088 0.85 PDE4D (0.37) CA2CA4NQO2CYP1A1CYP1B1
SCHEMBL21898310 0.85 CA2 (0.37) CA2CA4NQO2CYP1A1CYP1B1
SCHEMBL23091812 0.84 ALOX5AP (0.36) CA2CA4NQO2ALOX5APFEN1
SCHEMBL26983711 0.84 POLB (0.39) CA2CA4NQO2MAPTALOX5AP
SCHEMBL17378319 0.79 PRKDC (0.44) CA2CA4NQO2MAPTCA1
SCHEMBL18807882 0.79 CA2 (0.38) CA2CA4MAPTHSD17B10CA1
SCHEMBL15775500 0.77 HSD17B10 (0.56) MAPTHPGDHSD17B10TPMTKDM4E
SCHEMBL28423244 0.76 CA2 (0.38) CA2CA4NQO2MAPTHPGD
SCHEMBL20517661 0.76 ALDH1A1 (0.43) MAPTHSD17B10TPMTTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162802-B1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME NIHON MEDIPHYSICS CO LTD (JP) 2020-08-19 EP disclosed
EP-3162802-B1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME NIHON MEDIPHYSICS CO LTD (JP) 2020-08-19 EP disclosed
CN-106458995-B 2- (3-pyridyl) -1H-benzimidazole derivative compound and medicine containing the same 日本医事物理股份有限公司 2019-12-20 CN disclosed
US-10358434-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicament containing same NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-07-23 US disclosed
US-10358434-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicament containing same NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-07-23 US disclosed
US-20190169169-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICAMENT CONTAINING SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-06-06 US disclosed
US-20190169169-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICAMENT CONTAINING SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-06-06 US disclosed
US-10189815-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-01-29 US disclosed
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
WO-2014152278-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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-20190169169-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICAMENT CONTAINING SAME XDH, CYP11B2, GOT2 CA2 570/4885CA4 1237/4885NQO2 349/4885
US-10358434-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicament containing same XDH, CYP11B2, GOT2 CA2 570/4885CA4 1237/4885NQO2 349/4885
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CA2 1445/4885CA4 1288/4885NQO2 96/4885
US-10189815-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same XDH, REN, BRD4 CA2 665/4885CA4 1350/4885NQO2 406/4885

“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.