SCHEMBL398640

SCHEMBL398640

O=C(O)c1cnc2ccc(F)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
KEAP1 Q14145 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL11709391 0.89 TSHR (0.44) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL5767408 0.87 KEAP1 (0.42) DHODHALDH1A1GAARXFP1MEN1
SCHEMBL440033 0.83 KEAP1 (0.49) DHODHALDH1A1GAARXFP1MEN1
SCHEMBL22395713 0.83 DHODH (0.46) DHODHALDH1A1GAARXFP1MEN1
SCHEMBL7496024 0.83 DHODH (0.46) DHODHALDH1A1GAARXFP1MEN1
SCHEMBL1618188 0.81 PARP1 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL741418 0.81 HTT (0.55) DHODHALDH1A1GAARXFP1MEN1
SCHEMBL12786944 0.81 ALDH1A1 (0.49) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL30819200 0.81 ALDH1A1 (0.49) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL12850079 0.81 HSD17B10 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304712-A Preparation method of modified barium sulfate powder, modified barium sulfate powder and application thereof 青岛红蝶新材料有限公司 2023-12-29 CN claimed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
CN-117304712-B Preparation method of modified barium sulfate powder, modified barium sulfate powder and application thereof 青岛红蝶新材料有限公司 2026-02-06 CN disclosed
CN-117304712-A Preparation method of modified barium sulfate powder, modified barium sulfate powder and application thereof 青岛红蝶新材料有限公司 2023-12-29 CN disclosed
CN-117304712-A Preparation method of modified barium sulfate powder, modified barium sulfate powder and application thereof 青岛红蝶新材料有限公司 2023-12-29 CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-1687276-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2006-08-09 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound AVENTIS PHARMA S.A. (US) 2005-08-18 US disclosed
WO-2005049575-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2005-06-02 WO disclosed
CN-85106626-A The preparation of 4-amino-2-phenyl-quinoline 1987-03-25 CN disclosed
US-4588731-A Derivatives of isoxazolo[4,5-c]quinoline(2H)-3-one and method of preparation and use as anxiolytic agents ROUSSEL UCLAF (FR) 1986-05-13 US disclosed
EP-0168812-A1 4-Amino-2-phenyl quinolines, methods and intermediates for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-22 EP disclosed
US-4560692-A ANTICONVULSANTS OR ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-12-24 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DHODH 2093/4885ALDH1A1 2165/4885GAA 454/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DHODH 2093/4885ALDH1A1 2165/4885GAA 454/4885
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound QRFPR, NQO2, DHX35 DHODH 533/4885ALDH1A1 2137/4885GAA 3830/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 DHODH 2931/4885ALDH1A1 2221/4885GAA 650/4885

“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.