SCHEMBL792958

SCHEMBL792958

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1cc(OCc2ccccn2)ccc1-3

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NR1I2 O75469 1/20 0.34
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CCKBR P32239 1/20 0.34
RHOA P61586 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMO Q99835 1/20 0.34
SCN9A Q15858 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 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
SCHEMBL792952 0.91 HDAC6 (0.38) ALDH1A1NR1I2SCN9APRKCAMMP12
SCHEMBL792951 0.86 SCN9A (0.39) ALDH1A1KDM4ENR1I2SCN9APRKCA
SCHEMBL10283474 0.84 USP14 (0.39) ALDH1A1NR1I2RHOASCN9ATP53
SCHEMBL792698 0.82 MET (0.38) ALDH1A1KDM4ENR1I2SCN9APRKCA
SCHEMBL14572864 0.79 SCN9A (0.38) ALDH1A1NR1I2CCKBRSCN9ATP53
SCHEMBL14572867 0.79 NR1I2 (0.42) ALDH1A1KDM4ENR1I2SCN9APRKCA
SCHEMBL10283248 0.78 CCKBR (0.48) ALDH1A1POLBNR1I2CCKBRSCN9A
SCHEMBL14572860 0.78 SCN9A (0.41) ALDH1A1RHOASCN9ATP53MAPT
SCHEMBL804318 0.77 CYP3A4 (0.38) ALDH1A1KDM4EPOLBGAANR1I2
SCHEMBL12510402 0.77 KMT2A (0.34) ALDH1A1KDM4EPOLBNR1I2CCKBR

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-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
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 (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 ALDH1A1 750/4885KDM4E 2725/4885POLB 77/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885KDM4E 2725/4885POLB 77/4885

“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.