SCHEMBL12705359

SCHEMBL12705359

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.52
MAPT P10636 5/20 0.51
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
PIN1 Q13526 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
GSK3B P49841 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
ALDH3A1 P30838 1/20 0.41
RPS6KB2 Q9UBS0 2/20 0.41
BRD4 O60885 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL29535826 0.88 MAPT (0.54) FGFR4MAPTHTTL3MBTL1PIN1
SCHEMBL22719050 0.88 MAPT (0.54) FGFR4MAPTHTTL3MBTL1PIN1
SCHEMBL9984336 0.87 MAPT (0.52) FGFR4MAPTHTTPIN1MEN1
SCHEMBL9984006 0.85 MAPT (0.55) FGFR4MAPTHTTALDH1A1RAB9A
SCHEMBL718271 0.85 MAPT (0.51) FGFR4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL1600402 0.85 PIN1 (0.65) FGFR4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL16739538 0.85 FGFR4 (0.65) FGFR4MAPTHTTALDH1A1PIN1
SCHEMBL9984822 0.85 FGFR4 (0.52) FGFR4MAPTHTTALDH1A1PIN1
SCHEMBL29392511 0.83 FGFR4 (0.54) FGFR4MAPTHTTALDH1A1RAB9A
SCHEMBL29393275 0.83 FGFR4 (0.54) FGFR4MAPTALDH1A1PIN1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 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 (1 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-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A FGFR4 767/4885MAPT 3744/4885HTT 3178/4885

“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.