SCHEMBL7605047

SCHEMBL7605047

Brc1ccc2cc(-c3cnc([C@H]4CCCOC4)[nH]3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.38
PYGL P06737 2/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPGDS O60760 4/20 0.35
RPS6KB1 P23443 4/20 0.34
AKT1 P31749 3/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ABL1 P00519 1/20 0.32
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL7600347 0.87 SCN10A (0.43) SCN10APYGLMAPK13MAPK12MAPK11
SCHEMBL7602060 0.80 LPL (0.40) SCN10APYGLHPGDSMAPK8MAPK9
SCHEMBL19697871 0.78 MAPK13 (0.40) SCN10APYGLMAPK13MAPK12MAPK11
SCHEMBL2706498 0.75 MAPK13 (0.46) SCN10APYGLMAPK13MAPK12MAPK11
SCHEMBL204798 0.75 MAPK13 (0.46) SCN10APYGLMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL12098612 0.74 MAPK13 (0.45) SCN10APYGLMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL12098609 0.74 MAPK13 (0.45) SCN10APYGLMAPK13MAPK12MAPK11
SCHEMBL7604946 0.74 HPGDS (0.43) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9977195 0.73 MAPK13 (0.52) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL15397724 0.73 MAPK13 (0.38) SCN10APYGLMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3491/4885PYGL 50/4885MAPK13 2158/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885PYGL 30/4885MAPK13 2347/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885PYGL 30/4885MAPK13 2347/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885PYGL 30/4885MAPK13 2347/4885

“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.