SCHEMBL701743

SCHEMBL701743

Cc1cc(Cl)ccc1N=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 2/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.34

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) CYP3A4TRPA1ALDH1A1HPGDKDM4E
SCHEMBL23248 0.84 CYP3A4 (0.63) CYP3A4TRPA1ALDH1A1HPGDNPSR1
SCHEMBL11423129 0.83 ALDH1A1 (0.45) CYP3A4TRPA1ALDH1A1HPGDKDM4E
SCHEMBL30111366 0.81 TDP1 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10316536 0.81 TDP1 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1457266 0.80 ALDH1A1 (0.42) CYP3A4ALDH1A1HPGDKDM4EMAPT
SCHEMBL29196735 0.80 TDP1 (0.38) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31115173 0.79 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDKDM4E
SCHEMBL48414 0.79 CYP3A4 (0.58) CYP3A4TRPA1ALDH1A1HPGDKDM4E
SCHEMBL31115174 0.79 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
CN-114380874-B Macrolide antibiotics, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
US-20220242846-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-08-04 US disclosed
CN-114380874-A Macrolide antibiotics and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-04-22 CN 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-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-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US disclosed
US-3973947-A 1,3,5-Triazinediones and their use as selective herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-10 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 US disclosed
US-3951971-A SELECTIVE HERBICIDES FUCHS JULIUS JAKOB 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 (4 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
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885TRPA1 4870/4885ALDH1A1 4150/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 CYP3A4 3465/4885TRPA1 120/4885ALDH1A1 1089/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 CYP3A4 463/4885TRPA1 3456/4885ALDH1A1 1331/4885

“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.