SCHEMBL791966

SCHEMBL791966

COCc1cc(-c2csc(C)n2)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
RECQL P46063 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ESR2 Q92731 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.41
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
GSK3B P49841 1/20 0.40
AURKB Q96GD4 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL791679 0.88 LTA4H (0.53) NPC1RAB9AMAPTGFERALDH1A1
SCHEMBL792102 0.76 FFAR1 (0.44) NPC1RAB9AMAPTMEN1ALOX15
SCHEMBL2405184 0.76 RAB9A (0.71) NPC1RAB9ARECQLMAPTGAA
SCHEMBL27652620 0.75 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL19195984 0.73 RECQL (0.60) NPC1RAB9ARECQLMAPTGAA
SCHEMBL791681 0.72 KMT2A (0.38) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL791969 0.72 TP53 (0.47) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL792110 0.72 MEN1 (0.43) NPC1RAB9AMAPTGAAESR2
SCHEMBL792013 0.72 FFAR1 (0.53) RAB9AMAPTALDH1A1KDM4EHPGD
SCHEMBL791762 0.71 KMT2A (0.39) NPC1RAB9AMAPTGAAALDH1A1

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 NPC1 1131/4885RAB9A 2410/4885RECQL 3596/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NPC1 1268/4885RAB9A 1530/4885RECQL 2765/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NPC1 1268/4885RAB9A 1530/4885RECQL 2765/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPC1 1131/4885RAB9A 2410/4885RECQL 3596/4885

“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.