SCHEMBL78982

SCHEMBL78982

O=C=Nc1ccc(CCl)c(N=C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
TRPA1 O75762 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29475262 1.00 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
Hexamethylbenzene SCHEMBL28885793 0.89 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL374838 0.86 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11763846 0.85 CYP3A4 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29376372 0.85 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL314237 0.85 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29620420 0.83 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29620419 0.83 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL30040710 0.83 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11601779 0.83 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR

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 1287 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581600-B1 RESIN LENS AND PREPARATION METHOD THEREFOR EFIRM NEW MAT CO LTD (CN) 2025-01-08 EP claimed
US-12031065-B2 Adhesive composition comprising a polyurethane and a cationic dopant E INK CORPORATION (US) 2024-07-09 US claimed
US-20240084166-A1 OMNIPHOBIC COMPOSITION CONCENTRATES, RELATED ARTICLES, AND RELATED METHODS UNIV MICHIGAN STATE (US) 2024-03-14 US claimed
EP-3700975-B1 ACTINICALLY CURABLE ADHESIVE COMPOSITION WITH IMPROVED PROPERTIES SUN CHEMICAL CORP (US) 2023-12-06 EP claimed
US-11814470-B2 Omniphobic polyurethane compositions, related articles, and related methods BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-11-14 US claimed
US-11802204-B2 Thermoset omniphobic compositions with improved barrier properties, related articles, and related methods BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-10-31 US claimed
US-11746176-B2 Omniphobic compatibilizers for clear coatings, related articles, and related methods BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-09-05 US claimed
CN-115011053-B High-reflection fractal structure hydrogel, and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2023-08-01 CN claimed
US-11713369-B2 Polymeric additives for reducing the viscosity loss on tinting BASF SE 2023-08-01 US claimed
CN-116218004-A Janus structure program temperature control elastic material and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2023-06-06 CN claimed
CN-106442971-A Immunodetection solid-phase carrier material, and preparation method and application thereof 中国科学院长春应用化学研究所 2017-02-22 CN claimed
EP-2170974-B1 UNIVERSAL SPOT BLENDER FOR ONE-COMPONENT AND TWO-COMPONENT CLEARCOATINGS BASF COATINGS GMBH (DE) 2016-10-05 EP claimed
US-20100216945-A1 UNIVERSAL SPOT BLENDER FOR ONE-COMPONENT AND TWO-COMPONENT CLEARCOATINGS BASF COATINGS AG (DE) 2010-08-26 US claimed
EP-2170974-A1 UNIVERSAL SPOT BLENDER FOR ONE-COMPONENT AND TWO-COMPONENT CLEARCOATINGS BASF Coatings AG (DE) 2010-04-07 EP claimed
WO-2009007063-A1 UNIVERSAL SPOT BLENDER FOR ONE-COMPONENT AND TWO-COMPONENT CLEARCOATINGS BASF COATINGS AG (DE) 2009-01-15 WO claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-0965611-A1 Polyurethane moulded parts, process for their preparation as well as panel shaped semi-finished product and tub-shaped objects obtainable using the polyurethane moulded parts produced in this way Schwanekamp GmbH (DE) 1999-12-22 EP claimed
US-3952043-A CROSSLINKING AGENTS FOR POLYURETHANES OLIN CORPORATION (US) 1976-04-20 US claimed
US-3941822-A Process for the preparation of methylene-bridged diaryl isocyanates OLIN CORPORATION (US) 1976-03-02 US claimed

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-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CYP3A4 548/4885TRPA1 760/4885TDP1 1182/4885

“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.