SCHEMBL554490

SCHEMBL554490

O=CNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
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
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL15258016 0.87 HPGD (0.47) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL27582511 0.83 RAB9A (0.58) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL10841553 0.81 NPC1 (0.59) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL10842534 0.79 NPC1 (0.62) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL289886 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL5155207 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL497521 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL11145110 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL4644708 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12
SCHEMBL3247733 0.79 NPC1 (0.57) RAB9ANPC1ALOX15HDAC3CA12

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 1350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070874-A1 BENZOYLFORMIC ACID AMIDE DERIVATIVE KJ CHEMICALS CORPORATION (JP) 2026-03-12 US claimed
WO-2024210074-A1 BENZOYLFORMIC ACID AMIDE DERIVATIVE KJケミカルズ株式会社 2024-10-10 WO claimed
CN-116262976-B Electrochemical synthesis method of benzaldehyde derivative 国科大杭州高等研究院 2024-04-05 CN claimed
CN-115840347-A Photopolymer holographic recording material containing mercapto compound, acrylate compound and epoxy compound and grating 杭州光粒科技有限公司 2023-03-24 CN claimed
CN-113004845-B Anionic photocuring mercaptan-epoxy adhesive 江南大学 2022-05-17 CN claimed
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US claimed
CN-113004845-A Anionic photocuring mercaptan-epoxy adhesive 江南大学 2021-06-22 CN 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
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 RAB9A 3461/4885NPC1 918/4885ALOX15 411/4885
US-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS RAB9A 3588/4885NPC1 4691/4885ALOX15 1851/4885
US-20260070874-A1 BENZOYLFORMIC ACID AMIDE DERIVATIVE CRYAA, BCAT1, BRCA1 RAB9A 4083/4885NPC1 3591/4885ALOX15 1217/4885

“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.