SCHEMBL29616337

SCHEMBL29616337

S=C=NCc1ccccc1CN=C=S

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 13/20 0.62
TRPA1 O75762 3/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2A13 Q16696 1/20 0.46
EPAS1 Q99814 1/20 0.46
NAAA Q02083 4/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL2141390 1.00 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763355 0.93 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL19743369 0.89 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29849194 0.89 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13525501 0.89 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9715358 0.89 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780020 0.84 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL41908 0.84 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3933178 0.84 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2564569 0.84 MIF (0.52) 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 31 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-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-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
EP-4603479-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
EP-4603524-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
US-12379367-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-05 US disclosed
EP-4588913-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2025-07-23 EP disclosed
US-12269913-B2 Polythiol composition and applications thereof MITSUI CHEMICALS, INC. (JP) 2025-04-08 US disclosed
US-20250110259-A1 POLYTHIOL COMPOSITION AND APPLICATION OF SAME MITSUI CHEMICALS, INC. (JP) 2025-04-03 US disclosed
WO-2023145837-A1 POLYTHIOL COMPOSITION AND APPLICATION OF SAME 三井化学株式会社 2023-08-03 WO disclosed
EP-4198617-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2023-06-21 EP disclosed
WO-2023008528-A1 POLYTHIOL COMPOSITION AND APPLICATION OF SAME 三井化学株式会社 2023-02-02 WO disclosed
US-20220403092-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS MITSUI CHEMICALS, INC. (JP) 2022-12-22 US disclosed
US-20220363805-A1 POLYTHIOL COMPOSITION AND APPLICATIONS THEREOF MITSUI CHEMICALS, INC. (JP) 2022-11-17 US disclosed
EP-4063941-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2022-09-28 EP disclosed
CN-114765982-A Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens 三井化学株式会社 2022-07-19 CN disclosed
WO-2022138865-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS 三井化学株式会社 2022-06-30 WO disclosed
EP-4001974-A1 POLYTHIOL COMPOSITION AND APPLICATION THEREOF Mitsui Chemicals, Inc. (JP) 2022-05-25 EP disclosed
WO-2022102625-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS 三井化学株式会社 2022-05-19 WO 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 (3 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-20250110259-A1 POLYTHIOL COMPOSITION AND APPLICATION OF SAME F2, PHOSPHO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MIF 4859/4885TRPA1 2567/4885ALDH1A1 4153/4885
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.