SCHEMBL23248

SCHEMBL23248

Cc1ccc(Cl)cc1N=C=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
TRPA1 O75762 1/20 0.63
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8674250 0.93 CYP3A4 (0.56) CYP3A4TRPA1ALDH1A1TDP1MAPK1
SCHEMBL701743 0.84 CYP3A4 (0.48) CYP3A4TRPA1ALDH1A1TDP1MAPK1
Trifluoromethylbenzene SCHEMBL28152539 0.83 CYP3A4 (0.46) CYP3A4TRPA1ALDH1A1TSHRMEN1
SCHEMBL30111366 0.81 TDP1 (0.42) CYP3A4TRPA1ALDH1A1TDP1MAPK1
SCHEMBL10316536 0.81 TDP1 (0.42) CYP3A4TRPA1ALDH1A1TDP1MAPK1
SCHEMBL30157452 0.80 ALDH1A1 (0.46) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL1021320 0.80 ALDH1A1 (0.46) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL29507682 0.79 TDP1 (0.50) CYP3A4TRPA1ALDH1A1TDP1MAPK1
SCHEMBL10869858 0.79 CYP3A4 (0.68) CYP3A4TRPA1ALDH1A1TDP1MAPK1
SCHEMBL31597 0.79 CYP3A4 (0.68) CYP3A4TRPA1ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350596-A Polyurethane composite material, polyurethane and preparation method thereof 万华化学集团股份有限公司 2025-01-24 CN claimed
CN-119186531-A Chiral stationary phase derivatized by multi-functional hydroxypropyl-beta-cyclodextrin, preparation method and application thereof 浙江工业大学 2024-12-27 CN claimed
CN-116715830-A Adduct type curing agent with adjustable xylene tolerance and preparation method thereof 万华化学集团股份有限公司 2023-09-08 CN claimed
CN-112375226-B Bonded amylose derivative and preparation method and application thereof 苏州纳微科技股份有限公司 2023-03-17 CN claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
CN-112375226-A Bonded amylose derivative and preparation method and application thereof 苏州纳微科技股份有限公司 2021-02-19 CN claimed
CN-103724293-B A kind of preparation method of the urea derivative containing 1,2,3-thiadiazoles 浙江工业大学 2016-08-17 CN claimed
CN-103613564-B Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN claimed
CN-103724293-A Preparation method of 1,2,3-thiadiazole-containing urea derivative UNIV ZHEJIANG TECHNOLOGY 2014-04-16 CN claimed
CN-103613564-A Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2014-03-05 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
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
CN-119186531-A Chiral stationary phase derivatized by multi-functional hydroxypropyl-beta-cyclodextrin, preparation method and application thereof 浙江工业大学 2024-12-27 CN disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 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 535/4885TRPA1 4769/4885ALDH1A1 597/4885

“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.