SCHEMBL93415

SCHEMBL93415

O=C=Nc1ccc(CCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
TSHR P16473 1/20 0.68
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
P2RY6 Q15077 1/20 0.40
TRPA1 O75762 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL3989130 0.83 CYP3A4 (0.63) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL1396496 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL12852256 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL733010 0.81 CYP3A4 (0.74) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL2044965 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL31356865 0.81 CYP3A4 (0.43) CYP3A4TSHRCYP1A2P2RY6CA1
SCHEMBL19943 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL15430 0.80 CYP3A4 (0.70) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL30634516 0.79 CYP3A4 (0.95) CYP3A4TSHRCYP1A2MAPK1TDP1
Water SCHEMBL8522858 0.79 CYP3A4 (0.95) CYP3A4TSHRCYP1A2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-107661753-A A kind of positive electricity type chirality bicyclodextrin molecular layer stationary phase and preparation method thereof 南京理工大学 2018-02-06 CN claimed
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 CN claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed
JP-63275621-A None JP disclosed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3921349-B1 PHENYL ISOCYANATE CONVERSION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2026-01-14 EP disclosed
US-20250035587-A1 TUNABLE ELECTROOSMOTIC FLOW POLYMER COATED CAPILLARY UNIVERSITY OF NOTRE DAME DU LAC (US) 2025-01-30 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-0000722-A1 Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups BAYER AG (DE) 1979-02-21 EP disclosed
US-4119658-A REACTING ISOCYANATES WITH SULFUR TRIOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed
US-4086209-A Novel nitrogen-containing aromatic polymers and process for their preparation TEIJIN LIMITED (JA) 1978-04-25 US disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-4023957-A Herbicidal 1-thiadiazolyl-5-carbamoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-05-17 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 US disclosed
US-3941822-A Process for the preparation of methylene-bridged diaryl isocyanates OLIN CORPORATION (US) 1976-03-02 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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 CYP3A4 535/4885TSHR 3464/4885CYP1A2 2048/4885
US-20250035587-A1 TUNABLE ELECTROOSMOTIC FLOW POLYMER COATED CAPILLARY CHAMP1, RHOA, VCL CYP3A4 4624/4885TSHR 4827/4885CYP1A2 4244/4885

“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.