SCHEMBL1554929

SCHEMBL1554929

COC(=O)c1ccc(OC)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 10/20 0.61
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NR4A2 P43354 1/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL28053004 0.87 CPS1 (0.59) CPS1GAAALDH1A1HPGDNPC1
SCHEMBL2296342 0.86 KDM4E (0.58) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2258923 0.85 KDM4E (0.60) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL364906 0.84 CPS1 (0.45) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL20644248 0.84 CFTR (0.46) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12493428 0.84 ALDH1A1 (0.53) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL14893940 0.83 MAOB (0.63) ALDH1A1NPC1RAB9A
SCHEMBL29639738 0.83 ALDH1A1 (0.65) CPS1GAAALDH1A1HPGDNPC1
SCHEMBL1051747 0.83 CPS1 (0.63) CPS1KDM4EGAAALDH1A1HPGD
SCHEMBL531399 0.83 ALDH1A1 (0.65) CPS1GAAALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358574-B1 PROCESS FOR THE PREPARATION OF ADAMANTANE-1 DERIVATIVES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-17 EP claimed
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 US disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2019145360-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-01 WO disclosed
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-07-26 US disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
CN-101437801-A Process for preparing 4-oxoquinoline compounds JAPAN TOBACCO INC (JP) 2009-05-20 CN disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
EP-1992607-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND Japan Tobacco, Inc. (JP) 2008-11-19 EP disclosed
CN-101044126-A Prodrug substituted benzoxazoles as estrogenic agents WYETH CORP (US) 2007-09-26 CN disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
CN-1238759-A Nitrone derivatives SUMITOMO PHARMA (JP) 1999-12-15 CN disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP disclosed
US-5015758-A Process for the preparation of 1-adamantane derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-05-14 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 (6 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-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 CPS1 913/4885KDM4E 780/4885CYP1A2 178/4885
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CPS1 2626/4885KDM4E 662/4885CYP1A2 3765/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CPS1 4221/4885KDM4E 3300/4885CYP1A2 629/4885
US-11858918-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 CPS1 3815/4885KDM4E 2322/4885CYP1A2 4719/4885
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS DHPS, DHODH, APP CPS1 3818/4885KDM4E 2324/4885CYP1A2 181/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 CPS1 913/4885KDM4E 780/4885CYP1A2 178/4885

“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.