SCHEMBL3484774

SCHEMBL3484774

FC(F)=C(F)c1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.55
PDE6D O43924 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
CYP2C19 P33261 4/20 0.54
CYP2C9 P11712 3/20 0.54
CYP1A2 P05177 3/20 0.50
CFTR P13569 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HKDC1 Q2TB90 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSPO P30536 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL4780057 0.81 CYP2C19 (0.60) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL4784820 0.79 CYP2C19 (0.57) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL4784826 0.79 CYP2C19 (0.57) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL152719 0.76 TNF (0.65) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL4784069 0.75 CYP2C19 (0.60) TNFLMNACYP2C19CYP2C9CYP1A2
SCHEMBL1169953 0.74 LMNA (0.70) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL15568834 0.73 POLB (0.74) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL38658934 0.72 SMN1; SMN2 (0.56) MEN1KMT2ALMNACYP2C19CYP2C9
SCHEMBL7792012 0.72 L3MBTL1 (0.54) TNFALDH1A1MEN1KMT2ALMNA
SCHEMBL8880387 0.72 TNF (0.65) TNFALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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

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 TNF 3838/4885ALDH1A1 336/4885MEN1 189/4885
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 TNF 3838/4885ALDH1A1 336/4885MEN1 189/4885

“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.