SCHEMBL331320

SCHEMBL331320

S=C=NCc1ccc(CN=C=S)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 16/20 0.48
TRPA1 O75762 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2A13 Q16696 1/20 0.35
EPAS1 Q99814 1/20 0.35
NAAA Q02083 3/20 0.31

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
SCHEMBL3512988 0.73
SCHEMBL13123451 0.71 CYP2A6 (0.53) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.70 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL7670872 0.70 CYP1A2 (0.40) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29616337 0.67 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141390 0.67 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13623244 0.65 MIF (0.61) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL44145 0.65 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL27789925 0.65 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.65 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-05-19 US disclosed
EP-3861977-B1 (METH)ACRYLATE, MONOMER COMPOSITION, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2026-05-06 EP disclosed
EP-4733341-A1 POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING SAME, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2026-04-29 EP disclosed
US-12606675-B2 Sulfur-containing polymer, method for producing same, and sulfur-containing polymer composition NIPPON SHOKUBAI CO., LTD. (JP) 2026-04-21 US disclosed
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body MITSUI CHEMICALS, INC. (JP) 2026-04-21 US disclosed
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-03-24 US disclosed
EP-4198617-B1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS MITSUI CHEMICALS INC (JP) 2026-01-28 EP disclosed
US-12441821-B2 (Meth)acrylate and use thereof MITSUI CHEMICALS, INC. (JP) 2025-10-14 US disclosed
EP-4603524-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
EP-4603479-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP 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
US-20090201584-A1 PLASTIC POLARIZED LENS AND METHOD OF PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2009-08-13 US 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-2051129-A1 PLASTIC POLARIZING LENS AND METHOD FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2009-04-22 EP disclosed
US-7506977-B1 Plastic spectacles lens HOPNIC LABORATORY CO., LTD. (JP) 2009-03-24 US 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
US-20080036964-A1 Plastic polarized lens and method of producing the same MITSUI CHEMICALS, INC. (JP) 2008-02-14 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 (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-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens TXNL1, ALG3, TCOF1 MIF 2852/4885TRPA1 1621/4885ALDH1A1 2820/4885
US-12606675-B2 Sulfur-containing polymer, method for producing same, and sulfur-containing polymer composition UACA, SMC3, SMC2 MIF 2570/4885TRPA1 362/4885ALDH1A1 1086/4885
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 MIF 4838/4885TRPA1 264/4885ALDH1A1 1488/4885
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body ADH1A, ADH1C, ADH5 MIF 1119/4885TRPA1 924/4885ALDH1A1 15/4885
US-12441821-B2 (Meth)acrylate and use thereof TST, MMAB, BHMT2 MIF 142/4885TRPA1 1453/4885ALDH1A1 144/4885
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens EPN1, SEM1, PFN1 MIF 2580/4885TRPA1 1281/4885ALDH1A1 2000/4885

“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.