SCHEMBL93414

SCHEMBL93414

O=C=Nc1ccccc1CCl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 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
SCHEMBL29648904 1.00 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL661906 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL15544 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL29404189 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL31109186 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL18701450 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL93290 0.83 GABRA1 (0.61) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL1396494 0.83 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL29795971 0.83 GABRA1 (0.61) CYP3A4GABRA1GABRB2TSHRALDH1A1
SCHEMBL7723447 0.82 GABRA1 (0.55) CYP3A4GABRA1GABRB2TSHRALDH1A1

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 115 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
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-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO claimed
WO-2007077457-A2 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS THE ROYAL VETERINARY COLLEGE (GB) 2007-07-12 WO claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed
EP-0874831-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-04 EP claimed
WO-1997019935-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-06-05 WO claimed
US-4006170-A MULTISTAGE FROM O-CHLOROMETHYLPHENYL ISOCYANATE AND BENZENE BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US 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
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
US-4058561-A 2-Chloromethylphenylcarbamic acid fluoride BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4058561-A 2-Chloromethylphenylcarbamic acid fluoride BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4006170-A MULTISTAGE FROM O-CHLOROMETHYLPHENYL ISOCYANATE AND BENZENE BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4006170-A MULTISTAGE FROM O-CHLOROMETHYLPHENYL ISOCYANATE AND BENZENE BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3910890-A Preparation of morphanthridin-6-(5H)-ones SANDOZ AG 1975-10-07 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 (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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 CYP3A4 535/4885GABRA1 4343/4885GABRB2 4255/4885

“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.