SCHEMBL791890

SCHEMBL791890

COc1cccc(OCc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
ABCB1 P08183 1/20 0.61
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
MAOB P27338 4/20 0.60
SYK P43405 8/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
AURKB Q96GD4 1/20 0.55
INCENP Q9NQS7 1/20 0.55
GRM5 P41594 1/20 0.55
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
APP P05067 1/20 0.51

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
SCHEMBL1073540 0.84 SYK (0.68) FFAR1ABCB1HTR1ADRD2SYK
SCHEMBL15474712 0.84 SYK (0.53) FFAR1ABCB1HTR1ADRD2SYK
SCHEMBL13645800 0.83 KDM4E (0.55) FFAR1SYKAURKBINCENPALOX15
SCHEMBL16710552 0.83 ABCB1 (0.57) FFAR1ABCB1HTR1ADRD2MAOB
SCHEMBL4856658 0.83 SYK (0.53) FFAR1ABCB1HTR1ADRD2SYK
SCHEMBL22964159 0.81 TLR4 (0.53) ABCB1HTR1ADRD2SYKTLR4
SCHEMBL2760047 0.81 ALDH1A1 (0.57) ABCB1HTR1ADRD2MAOBSYK
SCHEMBL15474231 0.80 SYK (0.51) FFAR1MAOBSYKAURKBINCENP
SCHEMBL9719812 0.80 MAOB (0.60) ABCB1HTR1ADRD2MAOBSYK
SCHEMBL22597086 0.80 TLR4 (0.52) FFAR1ABCB1HTR1ADRD2SYK

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 FFAR1 4509/4885ABCB1 593/4885HTR1A 4866/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885ABCB1 930/4885HTR1A 4770/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885ABCB1 930/4885HTR1A 4770/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 FFAR1 4509/4885ABCB1 593/4885HTR1A 4866/4885

“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.