SCHEMBL332763

SCHEMBL332763

CCc1cccc(N=C=S)c1N=C=S

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.79
GABRB2 P47870 4/20 0.79
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 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
SCHEMBL1457256 0.88 GABRA1 (1.00) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL29449620 0.84 GABRA1 (0.65) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL22588537 0.84 GABRA1 (0.65) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL8763645 0.83 GABRA1 (0.89) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL945820 0.82 GABRA1 (0.62) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL13324886 0.81 GABRA1 (0.61) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL1018021 0.81 GABRA1 (0.79) GABRA1GABRB2ALDH1A1LMNAMIF
SCHEMBL18245021 0.81 GABRA1 (0.61) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
Water SCHEMBL28824559 0.81 GABRA1 (0.60) GABRA1GABRB2ALDH1A1CYP3A4ABCB11
SCHEMBL27493263 0.80 GABRA1 (0.82) GABRA1GABRB2ALDH1A1CYP3A4ABCB11

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-2497791-B1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS INC (JP) 2020-05-13 EP disclosed
US-10106660-B2 Film containing a resin having a thiourethane bond and uses thereof MITSUI CHEMICALS, INC. (JP) 2018-10-23 US disclosed
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
EP-2116558-B1 POLYMERIZABLE COMPOSITION CONTAINING A CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2017-01-18 EP disclosed
EP-1988110-B1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2017-01-04 EP disclosed
US-20160264743-A1 FILM CONTAINING A RESIN HAVING A THIOURETHANE BOND AND USES THEREOF MITSUI CHEMICALS, INC. (JP) 2016-09-15 US disclosed
US-9290656-B2 Polymerizable composition for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2016-03-22 US disclosed
EP-2065414-B1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN MITSUI CHEMICALS INC (JP) 2014-04-30 EP disclosed
US-8586694-B2 Polymerization catalyst for polythiourethane-based optical material, polymerizable composition containing the catalyst, optical material obtained from the composition, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-11-19 US disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
US-20110065884-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN MITSUI CHEMICALS, INC. (JP) 2011-03-17 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed
US-20100234498-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20100029890-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
US-20100016517-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC (JP) 2010-01-21 US disclosed
EP-2116558-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2009-11-11 EP disclosed
EP-2065414-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN Mitsui Chemicals, Inc. (JP) 2009-06-03 EP disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 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 (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-20100029890-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN OXGR1, HRH3, HRH4 GABRA1 438/4885GABRB2 1035/4885ALDH1A1 1488/4885
US-20110065884-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN OXGR1, HRH3, HRH4 GABRA1 438/4885GABRB2 1035/4885ALDH1A1 1488/4885

“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.