SCHEMBL792166

SCHEMBL792166

COCc1cc(C(=O)N(C)C)ccc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.40
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
POLB P06746 1/20 0.38
FYN P06241 1/20 0.38
TSHR P16473 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
SCHEMBL792151 0.89 ALDH1A1 (0.44) CYP11B1CYP11B2CYP1A2CYP3A4HSD17B10
SCHEMBL791538 0.86 CYP11B1 (0.57) CYP11B1CYP11B2KCNA5KCNH2CYP1A2
SCHEMBL792063 0.85 HSD17B1 (0.44) CYP11B1CYP11B2CYP1A2CYP3A4HSD17B10
SCHEMBL792204 0.84 CYP1A2 (0.42) CYP11B1CYP11B2KCNA5KCNH2CYP1A2
SCHEMBL792098 0.84 TACR1 (0.49) CYP11B1CYP11B2KCNH2CYP1A2CYP3A4
SCHEMBL10252263 0.84 FYN (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL791788 0.84 TACR1 (0.49) CYP11B1CYP11B2KDM4ESLC6A2SLC6A4
SCHEMBL791789 0.82 FFAR1 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4HSD17B10
SCHEMBL791524 0.81 PTGS2 (0.47) CYP11B1CYP11B2
SCHEMBL792234 0.79 KCNA5 (0.48) KCNA5KCNH2CYP1A2CYP3A4CYP2D6

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-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
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 2302/4885CLK1 2876/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CYP11B1 1558/4885CYP11B2 2203/4885CLK1 3302/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP11B1 1558/4885CYP11B2 2203/4885CLK1 3302/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP11B1 1825/4885CYP11B2 2302/4885CLK1 2876/4885

“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.