SCHEMBL483536

SCHEMBL483536

S=C=NCc1cccc(CN=C=S)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 13/20 0.74
TRPA1 O75762 3/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
HPGD P15428 1/20 0.71
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2A13 Q16696 1/20 0.48
EPAS1 Q99814 1/20 0.48
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
NAAA Q02083 4/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 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
SCHEMBL10651510 0.90 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2107951 0.87 MIF (0.65) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2341886 0.86 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1551628 0.86 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2338356 0.86 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL25333223 0.86 MIF (0.69) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13623244 0.85 MIF (0.61) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4776959 0.84 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL44145 0.83 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL27789925 0.83 MIF (1.00) 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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112844472-B Preparation method and application of chiral imidazole urea catalyst 深圳市宝安区新材料研究院 2023-05-23 CN claimed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US claimed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO claimed
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
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-12441821-B2 (Meth)acrylate and use thereof MITSUI CHEMICALS, INC. (JP) 2025-10-14 US disclosed
US-12384870-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-12 US disclosed
US-20250122315-A1 (METH)ACRYLATE AND USE THEREOF MITSUI CHEMICALS, INC. (JP) 2025-04-17 US disclosed
US-12275814-B2 (Meth)acrylate, monomer composition, molded body, composition for dental material, and dental material MITSUI CHEMICALS, INC. (JP) 2025-04-15 US disclosed
US-12275813-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2025-04-15 US disclosed
EP-3308928-B1 METHOD FOR PRODUCING PLASTIC LENS AND USE OF A DEVICE FOR PRODUCING A PLASTIC LENS MITSUI CHEMICALS INC (JP) 2025-03-05 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
US-7506977-B1 Plastic spectacles lens HOPNIC LABORATORY CO., LTD. (JP) 2009-03-24 US disclosed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US disclosed
US-7009031-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2006-03-07 US disclosed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed
US-6472495-B1 RESIN PRODUCED BY CURING THE COMPOSITION BY POLYMERIZATION HAS AN EXCELLENT IMPACT RESISTANCE AND OPTICAL PROPERTIES, AND IS SUITABLE AS AN OPTICAL MATERIAL. POLYMERS WITH SULFIDE, SELINIUM AND TELLURIUM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-10-29 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 (4 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-20250122315-A1 (METH)ACRYLATE AND USE THEREOF TST, MMAB, BHMT2 MIF 142/4885TRPA1 1453/4885ALDH1A1 144/4885
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-12275814-B2 (Meth)acrylate, monomer composition, molded body, composition for dental material, and dental material MMAB, CAD, ALG3 MIF 1592/4885TRPA1 1876/4885ALDH1A1 369/4885
US-12441821-B2 (Meth)acrylate and use thereof TST, MMAB, BHMT2 MIF 142/4885TRPA1 1453/4885ALDH1A1 144/4885

“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.