SCHEMBL8104080

SCHEMBL8104080

COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.86
MAPK12 P53778 6/20 0.86
MAPK11 Q15759 6/20 0.86
MAPK14 Q16539 6/20 0.86
MAPT P10636 5/20 0.86
RAF1 P04049 4/20 0.86
TP53 P04637 3/20 0.86
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
KDM4E B2RXH2 2/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
CYP1A2 P05177 1/20 0.80
GLA P06280 1/20 0.80
GAA P10253 1/20 0.80
CYP2C19 P33261 1/20 0.80
GFER P55789 1/20 0.80
NOX1 Q9Y5S8 3/20 0.76
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69

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
SCHEMBL15400046 1.00 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1308320 1.00 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1132001 1.00 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL15400824 0.94 NOX1 (0.85) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL8008805 0.94 NOX1 (0.85) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6469341 0.93 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL17133350 0.91 MAPT (0.73) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL11923005 0.91 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3455232 0.89 NOX1 (0.77) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL15075610 0.88 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834723-B2 Pentaarylbiimidazole compound and production method for said compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-12-05 US disclosed
US-20170130124-A1 PENTAARYLBIIMIDAZOLE COMPOUND AND PRODUCTION METHOD FOR SAID COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-05-11 US disclosed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
US-5116934-A Polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1992-05-26 US disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed
US-5066811-A Di(hydroxyphenyl)imidazole monomers used to make polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1991-11-19 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-20170130124-A1 PENTAARYLBIIMIDAZOLE COMPOUND AND PRODUCTION METHOD FOR SAID COMPOUND PPOX, CDK4, PAICS MAPK13 250/4885MAPK12 745/4885MAPK11 548/4885

“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.