SCHEMBL332485

SCHEMBL332485

S=C=Nc1cccc(-c2ccccc2)c1N=C=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX15 P16050 1/20 0.47
ADRA2C P18825 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
CCR2 P41597 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MIF P14174 1/20 0.42
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL5164145 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL11996504 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL11996517 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL9535737 0.80 MIF (0.41) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL330963 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL113386 0.78 CYP3A4 (0.47) ALDH1A1HSD17B10HPGDCYP3A4TDP1
Methane SCHEMBL27978530 0.76 CYP3A4 (0.46) ALDH1A1HSD17B10HPGDCYP3A4TDP1
Diphenylacetylene SCHEMBL27976246 0.76 APP (0.43) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL5147827 0.76 APLNR (0.44) ALDH1A1HSD17B10HPGDABCB11NR3C1
SCHEMBL4466979 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115434073-A Polyurethane nanofiber waterproof moisture-permeable film and preparation method and application thereof 上海迅江科技有限公司 2022-12-06 CN disclosed
CN-108109963-B Display unit, method of manufacturing the same, and electronic apparatus 索尼公司 2022-07-01 CN disclosed
CN-110799573-B Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2022-06-03 CN disclosed
CN-111154056-B Optical composition containing polyrotaxane 株式会社德山 2021-12-21 CN disclosed
CN-113646281-A Photochromic optical article and method of making same 株式会社德山 2021-11-12 CN disclosed
CN-106952929-B Display unit, method of manufacturing the same, and electronic apparatus 索尼公司 2021-08-27 CN disclosed
CN-112424260-A Photochromic compound and curable composition containing same 株式会社德山 2021-02-26 CN disclosed
CN-107922605-B Polyrotaxane, process for producing the same, and optical composition containing the same 株式会社德山 2020-12-11 CN disclosed
CN-111954832-A Photochromic optical article and method of making same 株式会社德山 2020-11-17 CN disclosed
CN-107207851-B Method for producing photochromic cured product 株式会社德山 2020-07-17 CN 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
WO-2009038937-A1 TINTED ARTICLE HAVING A HIGH REFRACTIVE INDEX PPG INDUSTRIES OHIO, INC. (US) 2009-03-26 WO 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 ALDH1A1 1488/4885HSD17B10 1800/4885HPGD 1651/4885
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 ALDH1A1 1488/4885HSD17B10 1800/4885HPGD 1651/4885

“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.