SCHEMBL3483731

SCHEMBL3483731

FC(c1nc2ccccc2[nH]1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
POLB P06746 2/20 0.68
KDM4E B2RXH2 4/20 0.62
IDO1 P14902 1/20 0.58
NPSR1 Q6W5P4 3/20 0.53
TAAR1 Q96RJ0 1/20 0.51
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
MLKL Q8NB16 3/20 0.48
KHK P50053 1/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.47
RAB9A P51151 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL31210108 1.00 ALDH1A1 (0.68) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL29406845 0.81 ALDH1A1 (1.00) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL477272 0.81 ALDH1A1 (1.00) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL1259528 0.81 IDO1 (0.66) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL9675207 0.78 POLB (0.72) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL11804201 0.77 PKM (0.58) ALDH1A1POLBKDM4EHSD17B10HPGD
SCHEMBL9214713 0.75 ALDH1A1 (0.68) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL10636343 0.74 ALDH1A1 (0.66) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL4374246 0.73 NPSR1 (0.78) ALDH1A1POLBKDM4EIDO1NPSR1
SCHEMBL85832 0.73 ALDH1A1 (0.66) ALDH1A1POLBKDM4EIDO1NPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57150669-A None JP disclosed
US-9252446-B2 Monomers and polymers carrying imidazole and benzimidazole groupings, and proton exchange membrane containing the same for the production of a fuel cell PEUGEOT CITROEN AUTOMOBILES S.A. (FR) 2016-02-02 US disclosed
EP-2027097-B1 IMPROVED MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL PEUGEOT CITROEN AUTOMOBILES SA (FR) 2015-02-18 EP disclosed
US-20140370418-A1 MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL PEUGEOT CITROEN AUTOMOBILES S.A. (FR) 2014-12-18 US disclosed
US-8859160-B2 Monomers and polymers carrying imidazole and benzimidazole groupings, and proton exchange membrane containing the same for the production of a fuel cell PEUGEOT CITROEN AUTOMOBILES SA (FR) 2014-10-14 US disclosed
US-20100151351-A1 MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL PEUGEOT CITROEN AUTOMOBILES S.A. (FR) 2010-06-17 US disclosed
EP-2027097-A1 IMPROVED MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL Peugeot Citroen Automobiles SA (FR) 2009-02-25 EP disclosed
WO-2007141441-A1 IMPROVED MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL PEUGEOT CITROËN AUTOMOBILES S.A. (FR) 2007-12-13 WO disclosed
JP-S57150669-A PREPARATION OF BENZO- OR NAPHTHO-HETERO RING COMPOUND HAVING ALPHA,BETA,BETA,BETA-TETRAFLUOROETHYL GROUP AT 2-POSITION DAIKIN IND LTD 1982-09-17 JP 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 (2 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-20100151351-A1 MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL ECI1, TIMM9, ACAD9 ALDH1A1 336/4885POLB 3074/4885KDM4E 1583/4885
US-20140370418-A1 MONOMERS AND POLYMERS CARRYING IMIDAZOLE AND BENZIMIDAZOLE GROUPINGS, AND PROTON EXCHANGE MEMBRANE CONTAINING THE SAME FOR THE PRODUCTION OF A FUEL CELL ECI1, TIMM9, ACAD9 ALDH1A1 336/4885POLB 3074/4885KDM4E 1583/4885

“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.