SCHEMBL93319

SCHEMBL93319

O=C=Nc1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
TRPA1 O75762 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.32
MGLL Q99685 1/20 0.30
MAPK1 P28482 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
SCHEMBL17847483 0.83 CYP3A4 (0.45) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL29395383 0.82 CYP3A4 (0.64) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL15431 0.82 CYP3A4 (0.64) CYP3A4TRPA1GABRA1GABRB2TDP1
Benzene SCHEMBL28766229 0.79 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL30244709 0.79 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Ammonia Solution, Strong SCHEMBL28158244 0.79 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Fluoride SCHEMBL28813057 0.79 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
Water SCHEMBL28526910 0.79 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL3399383 0.79 CYP3A4 (0.73) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL17847466 0.78 CYP3A4 (0.41) CYP3A4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116497528-A Flexible conductive fiber film based on oxime urethane bond, preparation method and application 陕西科技大学 2023-07-28 CN claimed
CN-111100732-B Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-114395058-A Binuclear vanadium catalyst and preparation method and application thereof 合肥工业大学 2022-04-26 CN claimed
CN-111100732-A Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2020-05-05 CN claimed
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5652237-A 2-substituted-4H-3, 1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease for the treatment of inflammatory processes WARNER-LAMBERT COMPANY (US) 1997-07-29 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 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 (2 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-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 CYP3A4 2090/4885TRPA1 2423/4885SIGMAR1 3713/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 CYP3A4 182/4885TRPA1 1303/4885SIGMAR1 3406/4885

“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.