SCHEMBL2107267

SCHEMBL2107267

[O-][n+]1cccc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
ATM Q13315 1/20 0.34
ACHE P22303 6/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 4/20 0.32
AHR P35869 1/20 0.31
HPRT1 P00492 1/20 0.31
MAOB P27338 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL607157 0.84 CYP1A2 (0.45) CYP1A2CYP2A6ATMACHETDO2
SCHEMBL9227699 0.78 ATM (0.40) ATMACHEHSP90AA1MAPTHTT
SCHEMBL31378948 0.76 HSP90AA1 (0.37) TDO2HPRT1HSP90AA1MAPTHTT
SCHEMBL5782822 0.76 CYP2A6 (0.45) CYP1A2CYP2A6ATMACHEKDM4E
SCHEMBL2088214 0.76 CYP2A6 (0.45) CYP2A6ATMACHEALDH1A1GAA
SCHEMBL1771117 0.76 TNNI3 (0.47) CYP1A2ATMACHENPC1ALDH1A1
SCHEMBL1286632 0.76 MEN1 (0.47) ATMACHEKDM4EALDH1A1RAB9A
SCHEMBL758788 0.76 CYP2A6 (0.45) CYP1A2CYP2A6ATMACHEKDM4E
SCHEMBL22778035 0.76 BACE1 (0.35) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL29714441 0.76 BACE1 (0.35) KDM4EALDH1A1GAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
EP-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 US disclosed
EP-2991992-A1 QUINOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-09 EP disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 US disclosed
CN-105189520-A Quinolone derivatives ACTELION PHARMACEUTICALS LTD 2015-12-23 CN disclosed
WO-2014178008-A1 QUINOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-11-06 WO disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
EP-0303291-B1 Fluorinated benzoyl compounds ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
US-5093515-A Intermediate for quinolone carboxylic acid bactericide ASAHI GLASS COMPANY LTD. (JP) 1992-03-03 US disclosed
US-5068449-A FLUORINATED BENZOYL COMPOUNDS ASAHI GLASS COMPANY, LTD. (JP) 1991-11-26 US disclosed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP 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-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL CYP1A2 172/4885CYP2A6 366/4885ATM 4339/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CYP1A2 4727/4885CYP2A6 4206/4885ATM 112/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CYP1A2 1945/4885CYP2A6 3756/4885ATM 670/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CYP1A2 198/4885CYP2A6 498/4885ATM 2759/4885

“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.