SCHEMBL400105

SCHEMBL400105

O=C(O)c1c[nH]c2c(F)cc(F)cc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.63
KDM4E B2RXH2 2/20 0.59
CSNK2A2 P19784 4/20 0.49
CSNK2B P67870 4/20 0.49
CSNK2A1 P68400 4/20 0.49
CYP1A2 P05177 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
TET2 Q6N021 1/20 0.45
TET1 Q8NFU7 1/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
DNA2 P51530 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
RAB9A P51151 1/20 0.40
GUSB P08236 2/20 0.39

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
SCHEMBL2576855 0.90 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL30353211 0.87 KDM4E (0.59) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL4650128 0.85 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL4650139 0.84 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL4607323 0.84 KDM4E (0.49) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL30593848 0.84 CSNK2A2 (0.57) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL8332461 0.81 ALDH1A1 (0.63) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL30353208 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL1878010 0.81 KDM4E (0.51) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B
SCHEMBL4650793 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ECSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP claimed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO claimed
US-4782068-A BACTERICIDES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1988-11-01 US claimed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP claimed
US-20240254136-A1 COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS Redona Therapeutics, Inc. 2024-08-01 US 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
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-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-4914110-A BACTERICIDES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1990-04-03 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
EP-0202763-B1 5,6-DIFLUORONAPHTHYRIDINES AND 5,6,8-TRIFLUORO-QUINOLINES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-11-08 EP disclosed
US-4782068-A BACTERICIDES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1988-11-01 US disclosed
US-4782068-A BACTERICIDES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1988-11-01 US disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed
US-4657913-A Trifluoro- quinoline -3- carboxylic acids and their use as anti-bacterial agents WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
EP-0202763-A1 5,6-Difluoronaphthyridines and 5,6,8-trifluoro-quinolines as antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-26 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885LMNA 2816/4885KDM4E 4262/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885LMNA 2816/4885KDM4E 4262/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885LMNA 2816/4885KDM4E 4262/4885
US-20240254136-A1 COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS NSUN3, NSUN2, RBM3 ALDH1A1 3491/4885LMNA 1072/4885KDM4E 1121/4885

“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.