SCHEMBL1679996

SCHEMBL1679996

C#CSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAOB P27338 4/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 3/20 0.39
CALM1 P0DP23 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PRMT1 Q99873 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL44259 0.79 IDO1 (0.44) IDO1NOS3NOS1NOS2MAOB
SCHEMBL2074627 0.79 IDO1 (0.44) IDO1NOS3NOS1NOS2MAOB
SCHEMBL10986671 0.78 CYP1A2 (0.50) NOS1MAOBHSD17B10MAOACYP1A2
Benzyl Thiocyanate SCHEMBL27730692 0.75 MAOB (0.48) IDO1NOS3NOS1NOS2MAOB
SCHEMBL9217746 0.75 MAOB (0.44) IDO1NOS3NOS1NOS2MAOB
Benzyl Thiocyanate SCHEMBL129196 0.75 MAOB (0.48) IDO1NOS3NOS1NOS2MAOB
SCHEMBL28515 0.75 CTSL (0.43) IDO1NOS3NOS1NOS2MAOB
SCHEMBL10978005 0.75 CYP1A2 (0.42) IDO1NOS3NOS1NOS2MAOB
SCHEMBL11384559 0.75 CYP1A2 (0.42) IDO1NOS3NOS1NOS2MAOB
SCHEMBL19514760 0.75 CA12 (0.43) IDO1NOS3NOS1NOS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
CN-101707247-B Anode and battery SONY CORP 2013-03-27 CN claimed
EP-2482856-A2 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KINGS COLLEGE LONDON (GB) 2012-08-08 EP claimed
WO-2011039535-A2 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KING'S COLLEGE LONDON (GB) 2011-04-07 WO claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
EP-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP claimed
EP-0076557-B1 PEPTIDES AND PSEUDOPEPTIDES IN WHICH THE N TERMINUS BEARS TWO SUBSTITUENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-13 EP claimed
US-12065448-B2 Heteroaryl plasma kallikrein inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-20 US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-20220298176-A1 HETEROARYL PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-22 US disclosed
CN-115044923-A Method for preparing 2-aryl-3-thiocyano-benzothiophene by using electrochemical reaction 盐城师范学院 2022-09-13 CN disclosed
EP-4031245-A1 HETEROARYL PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
WO-2011039535-A2 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KING'S COLLEGE LONDON (GB) 2011-04-07 WO disclosed
CN-101707247-A Anode and battery SONY CORP 2010-05-12 CN disclosed
CN-1964102-A Anode and battery SONY CORP (JP) 2007-05-16 CN disclosed
CN-1806356-A Method of producing membrane electrode assemblies CABOT CORP (US) 2006-07-19 CN disclosed
US-20060099512-A1 Anode and battery MURATA MANUFACTURING CO., LTD. (JP) 2006-05-11 US disclosed
US-5478959-A Method for preparing 1,2-dithiins and precursors of 1,2-dithiins THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-26 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-20220298176-A1 HETEROARYL PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 IDO1 1643/4885NOS3 1858/4885NOS1 3034/4885
US-12065448-B2 Heteroaryl plasma kallikrein inhibitors KLKB1, KLK5, KLK1 IDO1 1643/4885NOS3 1858/4885NOS1 3034/4885

“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.