SCHEMBL3974150

SCHEMBL3974150

CCCOc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
GALR3 O60755 1/20 0.53
STAT3 P40763 1/20 0.53
DDAH1 O94760 1/20 0.51
NPC1 O15118 2/20 0.46
BCHE P06276 1/20 0.46
TRPC3 Q13507 1/20 0.46
TRPC4 Q9UBN4 1/20 0.46
TRPC5 Q9UL62 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTA4H P09960 1/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL28248398 0.89 NPC1 (0.50) RAB9ADDAH1NPC1BCHETRPC3
SCHEMBL2675687 0.87 DDAH1 (0.56) RAB9AMEN1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL28081465 0.86 DDAH1 (0.55) RAB9AMEN1MAPTHTTKMT2A
SCHEMBL23122423 0.85 TSHR (0.49) RAB9AMAPTDDAH1NPC1KDM4E
SCHEMBL139718 0.83 LTA4H (0.46) RAB9AMEN1HTTKMT2ADDAH1
SCHEMBL23123122 0.82 ACHE (0.63) RAB9ADDAH1NPC1BCHELMNA
Boric Acid SCHEMBL28397024 0.79 LTA4H (0.43) RAB9AMEN1KMT2ADDAH1NPC1
SCHEMBL6590211 0.79 LTA4H (0.44) RAB9AKMT2ANPC1BCHELMNA
SCHEMBL7419107 0.79 SMN1; SMN2 (0.48) RAB9AMEN1MAPTKMT2ADDAH1
SCHEMBL132762 0.79 NPC1 (0.48) RAB9AMEN1HTTKMT2ADDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112362783-A High-flux and rapid screening method for potential pollutants in non-medicines for fishing 江苏省淡水水产研究所 2021-02-12 CN claimed
CN-114814013-A Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2022-07-29 CN disclosed
CN-113081968-A Oral gel powder for treating livestock and poultry diseases and preparation method thereof 泰州骏道立同生物科技有限公司 2021-07-09 CN disclosed
CN-112362783-A High-flux and rapid screening method for potential pollutants in non-medicines for fishing 江苏省淡水水产研究所 2021-02-12 CN disclosed
CN-103930549-B Methods and compositions for weed control 孟山都技术公司 2020-09-18 CN disclosed
CN-103958539-B Methods and compositions for weed control 孟山都技术公司 2019-12-17 CN disclosed
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-11-08 US disclosed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US disclosed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US disclosed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US disclosed
US-6355808-B2 ANGAGONIZING ANGIOTENSIN II TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US disclosed
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US disclosed
US-6004989-A ETHYL 2-ETHOXY-1-(2'-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL) BENZIMIDAZOLE-7-CARBOXYLATE AND SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP 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-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent AGTR1, REN, AGTR2 RAB9A 3848/4885MEN1 136/4885MAPT 4835/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 RAB9A 3767/4885MEN1 1169/4885MAPT 4582/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 RAB9A 4132/4885MEN1 1449/4885MAPT 4622/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 RAB9A 3790/4885MEN1 1078/4885MAPT 4451/4885

“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.