SCHEMBL895951

SCHEMBL895951

S=C=NCc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.64
TRPA1 O75762 3/20 0.63
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.41
CYP2A6 P11509 2/20 0.38
CYP2E1 P05181 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
SLC6A4 P31645 1/20 0.37
AGXT P21549 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL2141861 0.88 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL5790355 0.82 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.81 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL28709411 0.79 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457483 0.78 MIF (1.00) MIFTRPA1TAAR1CYP2A6CYP2E1
SCHEMBL151739 0.77 MIF (0.44) MIFTRPA1ALDH1A1TAAR1IDO1
SCHEMBL1706732 0.77 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780073 0.77 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457562 0.77 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10651884 0.77 TRPA1 (0.69) 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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115429785-A Composition for improving bioavailability and treatment effect of isothiocyanate compounds 无锡杰西医药股份有限公司 2022-12-06 CN claimed
CN-104173272-B Sustained-release preparation of isothiocyanate compounds 无锡杰西医药股份有限公司 2021-07-06 CN claimed
CN-104117064-B Combined application of isothiocyanate compounds and hormone drugs 无锡杰西医药股份有限公司 2021-02-26 CN claimed
EP-3034076-B1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC WUXI COMPANY INC (CN) 2020-09-30 EP claimed
US-10010520-B2 Combined application of isothiocyanate compound and anti-cancer medicine JC (WUXI) COMPANY, INC. (CN) 2018-07-03 US claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP 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
US-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2026-01-27 US disclosed
US-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors NURA BIO, INC. (US) 2025-09-02 US disclosed
EP-3446689-B1 ISOTHIOCYANATE COMPOUND FOR USE IN THE TREATMENT OF HYPERBILIRUBINEMIA JC WUXI COMPANY INC (CN) 2025-01-08 EP disclosed
CN-118873522-A Application of isothiocyanate compound 无锡杰西医药股份有限公司 2024-11-01 CN disclosed
CN-113262218-B Use of isothiocyanate compounds 无锡杰西医药股份有限公司 2024-06-18 CN disclosed
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 WO disclosed
US-4855478-A HERBICIDES ICI AMERICAS INC. (US) 1989-08-08 US disclosed
EP-0097469-B1 TRIAZOLE ANTIFUNGAL AGENTS Pfizer Limited (GB) 1986-10-15 EP disclosed
US-4482558-A Antifungal amide and urea derivatives of (3-amino-2-aryl-2-hydroxyprop-1-yl)-1H-1,2,4-triazoles PFIZER INC. (US) 1984-11-13 US disclosed
US-4202832-A ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-13 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-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors SARM1, SARNP, ADRM1 MIF 2880/4885TRPA1 4106/4885ALDH1A1 3991/4885
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 MIF 986/4885TRPA1 2138/4885ALDH1A1 2081/4885
US-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection TST, SLC39A11, SLC39A3 MIF 218/4885TRPA1 586/4885ALDH1A1 1604/4885
US-10010520-B2 Combined application of isothiocyanate compound and anti-cancer medicine CHUK, KIT, MKI67 MIF 986/4885TRPA1 2138/4885ALDH1A1 2081/4885

“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.