SCHEMBL159581

SCHEMBL159581

O=C=Nc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.32
ERN1 O75460 1/20 0.32
RXFP1 Q9HBX9 1/20 0.30

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
Isothiocyanate SCHEMBL3612486 0.89 MAPK1 (0.35) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL7921988 0.84 MAPK1 (0.44) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL4240933 0.84 CYP3A4 (0.41) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL30858740 0.81 TRPA1 (0.35) MAPK1TDP1CYP3A4TRPA1
SCHEMBL21239456 0.81 TRPA1 (0.35) MAPK1TDP1CYP3A4TRPA1
SCHEMBL60268 0.81 RXRA (0.34) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL131042 0.80 TDP1 (0.50) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL27805581 0.80 CYP3A4 (0.38) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL29849778 0.78 TDP1 (0.39) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL160448 0.77 GABRA1 (0.35) MAPK1TDP1CES2CES1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-118834461-B Polyethylene composite flame-retardant waterproof material and preparation method thereof 浙江航华网业有限公司 2025-01-24 CN claimed
CN-105944701-A Preparation method of bonded nanocellulose chiral stationary phase 中国科学院兰州化学物理研究所 2016-09-21 CN claimed
CN-104741102-A A preparing method of a surface organic-inorganic hybrid core-shell type polysaccharide chiral stationary phase LANZHOU CHEM PHYS INST 2015-07-01 CN claimed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US disclosed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
CN-118834461-A Polyethylene composite flame-retardant waterproof material and preparation method thereof 浙江航华网业有限公司 2024-10-25 CN disclosed
EP-4433453-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS Icagen, LLC (US) 2024-09-25 EP disclosed
CN-118525003-A Novel heteroaryl urea compounds as KV7.2 inhibitors 伊卡根有限责任公司 2024-08-20 CN disclosed
WO-2023091554-A9 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS ICAGEN, LLC (US) 2024-05-23 WO disclosed
CN-114072387-B Indazole compound, pharmaceutical composition and application thereof 暨南大学 2024-03-08 CN disclosed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed
US-5670456-A Compounds SANDOZ LTD. (CH) 1997-09-23 US disclosed
US-5506191-A Heterocyclic hydrazines and hydrazones SANDOZ LTD. (CH) 1996-04-09 US disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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 (1 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-20250074901-A1 NOVEL HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A43, F12 MAPK1 2595/4885TDP1 2961/4885CYP3A4 18/4885

“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.