SCHEMBL791538

SCHEMBL791538

COCc1cc(C(=O)N(C)C)ccc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
KCNA5 P22460 2/20 0.52
KCNH2 Q12809 1/20 0.51
MKNK1 Q9BUB5 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
SLC2A1 P11166 1/20 0.46
LRRK2 Q5S007 1/20 0.44
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CYP19A1 P11511 1/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL792166 0.86 CYP11B1 (0.54) CYP11B1CYP11B2KCNA5KCNH2HSD17B10
SCHEMBL792151 0.83 ALDH1A1 (0.44) CYP11B1CYP11B2HSD17B10CYP1A2CYP3A4
SCHEMBL792234 0.81 KCNA5 (0.48) KCNA5KCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL792063 0.80 HSD17B1 (0.44) CYP11B1CYP11B2HSD17B10CYP1A2CYP3A4
SCHEMBL792098 0.79 TACR1 (0.49) CYP11B1CYP11B2KCNH2CYP1A2CYP3A4
SCHEMBL792204 0.79 CYP1A2 (0.42) CYP11B1CYP11B2KCNA5KCNH2CYP1A2
SCHEMBL10252263 0.79 FYN (0.40) CYP11B1CYP11B2MKNK1MKNK2LRRK2
SCHEMBL792077 0.77 CYP11B1 (0.47) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL791789 0.77 FFAR1 (0.38) CYP11B1CYP11B2HSD17B10CYP1A2CYP3A4
SCHEMBL791524 0.76 PTGS2 (0.47) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CYP11B1 1825/4885CYP11B2 2302/4885KCNA5 3873/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CYP11B1 1558/4885CYP11B2 2203/4885KCNA5 3344/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP11B1 1558/4885CYP11B2 2203/4885KCNA5 3344/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP11B1 1825/4885CYP11B2 2302/4885KCNA5 3873/4885

“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.