SCHEMBL10144846

SCHEMBL10144846

Brc1ccc(-c2ccc(-c3cnc(C4CCCC4)[nH]3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.47
HPGDS O60760 5/20 0.45
TRPV1 Q8NER1 1/20 0.42
TTK P33981 2/20 0.40
PTGES O14684 1/20 0.40
SSTR3 P32745 2/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
SSTR5 P35346 1/20 0.38

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
SCHEMBL9977195 0.98 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL17014412 0.97 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL456621 0.92 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL19566591 0.92 SCN10A (0.52) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL7600347 0.84 SCN10A (0.43) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL16577349 0.83 SSTR3 (0.48) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL17281351 0.83 SCN10A (0.48) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL17281352 0.82 HPGDS (0.62) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL16577384 0.81 RPS6KB1 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL16577375 0.81 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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 (3 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 MAPK13 2347/4885MAPK12 2259/4885MAPK11 2681/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 MAPK13 2347/4885MAPK12 2259/4885MAPK11 2681/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 MAPK13 2347/4885MAPK12 2259/4885MAPK11 2681/4885

“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.