SCHEMBL554489

SCHEMBL554489

O=[C]NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
GAA P10253 1/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL7322538 0.79 HDAC3 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL262369 0.79 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL6964297 0.79 HDAC3 (0.60) ALOX15HDAC3CA12CA1IDO1
SCHEMBL300028 0.79 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL3247730 0.79 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL11151143 0.79 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL17099926 0.77 ALOX15 (0.52) ALOX15HDAC3CA12CA1IDO1
SCHEMBL14855268 0.77 ALDH1A1 (0.61) CA1HDAC1CA9HDAC6GAA
SCHEMBL6744159 0.77 MEN1 (0.52) CA1NPC1RAB9AKMT2APOLB
SCHEMBL7092667 0.77 ALDH1A1 (0.61) HDAC1HDAC6GAANPC1RAB9A

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 1284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US claimed
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US claimed
EP-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP claimed
CN-110603250-A Herbicidal 4-difluoromethylbenzamides 拜耳作物科学股份公司 2019-12-20 CN claimed
CN-103450112-B A kind of nitrogenous five member ring heterocyclic compound that N- bridging connects and its preparation and purposes 华东理工大学 2019-09-13 CN claimed
EP-3490985-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-06-05 EP claimed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 US claimed
WO-2019046465-A2 THERAPEUTIC INDOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO claimed
EP-3365819-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 Mangosuthu University Of Technology (ZA) 2018-08-29 EP claimed
CN-108047154-A A kind of preparation method and purposes with anti-cancer active compound 华东理工大学 2018-05-18 CN claimed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US claimed
EP-0292822-A2 Substituted nitroalkenes BAYER AG (DE) 1988-11-30 EP claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US claimed
US-4532268-A Imidazole agent for retarding the polymerization of aziridine compounds ESPE, FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1985-07-30 US claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US claimed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US claimed
US-4021542-A Derivatives of hydrazino-monosaccharides and aldohexoses which are useful as intermediates for preparing compounds or as compounds which lower the uric acid BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-03 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 (3 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-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 ALOX15 411/4885HDAC3 1056/4885CA12 576/4885
US-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS ALOX15 1851/4885HDAC3 4396/4885CA12 4726/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS ALOX15 1851/4885HDAC3 4396/4885CA12 4726/4885

“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.