SCHEMBL2074627

SCHEMBL2074627

[C](SCc1ccccc1)SCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAOB P27338 3/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CALM1 P0DP23 1/20 0.43
MAOA P21397 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PRMT1 Q99873 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28515 0.84 CTSL (0.43) IDO1NOS3NOS1NOS2MAOB
SCHEMBL44259 0.83 IDO1 (0.44) IDO1NOS3NOS1NOS2MAOB
SCHEMBL19514760 0.79 CA12 (0.43) IDO1NOS3NOS1NOS2MAOB
SCHEMBL11384559 0.79 CYP1A2 (0.42) IDO1NOS3NOS1NOS2MAOB
SCHEMBL9217746 0.79 MAOB (0.44) IDO1NOS3NOS1NOS2MAOB
SCHEMBL10978005 0.79 CYP1A2 (0.42) IDO1NOS3NOS1NOS2MAOB
SCHEMBL1679996 0.79 IDO1 (0.41) IDO1NOS3NOS1NOS2MAOB
Benzyl Thiocyanate SCHEMBL129196 0.79 MAOB (0.48) IDO1NOS3NOS1NOS2MAOB
Benzyl Thiocyanate SCHEMBL11858619 0.77 MAOB (0.47) IDO1NOS3NOS1NOS2MAOB
Benzyl Thiocyanate SCHEMBL21114375 0.74 MAOA (0.41) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081452-A1 POLYDIENES AND DIENE COPOLYMERS USING 1,1-BIS(HYDROCARBYLTHIO)HYDROCARBYL-1-ENE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-03-23 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-11-27 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1857456-A1 PROCESS FOR PRODUCING COMPOUND WITH ANTI-HCV POTENCY AND INTERMEDIATE FOR USE THEREIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-21 EP disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 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 (6 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-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof HCCS, EIF2AK2, MAVS IDO1 1119/4885NOS3 935/4885NOS1 905/4885
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS IDO1 1101/4885NOS3 1862/4885NOS1 1892/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 IDO1 1168/4885NOS3 1033/4885NOS1 384/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 IDO1 261/4885NOS3 1870/4885NOS1 1994/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 IDO1 4660/4885NOS3 3106/4885NOS1 2446/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 IDO1 243/4885NOS3 1599/4885NOS1 1672/4885

“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.