SCHEMBL772575

SCHEMBL772575

CCOC(=O)c1ccc(-c2cnc(C(C)(C)NC(=O)c3ccc4c(C5CCCCC5)c5n(c4c3)CCOc3cc(OC)ccc3-5)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
SCN9A Q15858 5/20 0.38
CYP3A4 P08684 4/20 0.38
SCN5A Q14524 2/20 0.38
NR1I2 O75469 5/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 2/20 0.34
CTSG P08311 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL771668 0.92 SCN9A (0.39) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL773782 0.92 SCN9A (0.38) KCNH2SCN9ACYP3A4SCN5ANR1I2
Hydrochloric Acid SCHEMBL774728 0.92 SCN9A (0.39) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL773379 0.92 SCN9A (0.39) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL771558 0.92 SCN9A (0.39) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL772369 0.89 PRKCA (0.40) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL772751 0.88 CYP3A4 (0.46) KCNH2SCN9ACYP3A4NR1I2CYP2C9
SCHEMBL772750 0.88 CYP3A4 (0.46) KCNH2SCN9ACYP3A4NR1I2CYP2C9
SCHEMBL773869 0.81 NR1I2 (0.40) KCNH2SCN9ACYP3A4SCN5ANR1I2
SCHEMBL772073 0.81 NR1I2 (0.39) KCNH2SCN9ACYP3A4SCN5ANR1I2

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 7 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-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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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 KCNH2 3813/4885SCN9A 3087/4885CYP3A4 1341/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KCNH2 3813/4885SCN9A 3087/4885CYP3A4 1341/4885

“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.