SCHEMBL771631

SCHEMBL771631

CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
DGAT1 O75907 1/20 0.35
NR1I2 O75469 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL10283179 0.91 ALDH1A1 (0.39) TMEM97KDM4ESIGMAR1ALDH1A1HIF1A
Hydrochloric Acid SCHEMBL772339 0.90 ALDH1A1 (0.39) TMEM97KDM4ESIGMAR1ALDH1A1HIF1A
SCHEMBL792422 0.88 TMEM97 (0.41) TMEM97KDM4ESIGMAR1ALDH1A1HIF1A
SCHEMBL804147 0.87 TMEM97 (0.37) TMEM97KDM4EPKMSIGMAR1ALDH1A1
SCHEMBL792812 0.85 ALDH1A1 (0.36) TMEM97KDM4EPKMSIGMAR1ALDH1A1
SCHEMBL10283262 0.77 PRKCA (0.48) KDM4EALDH1A1HIF1AMEN1TP53
SCHEMBL772631 0.75 PARP1 (0.38) PKMALDH1A1MAPT
SCHEMBL803809 0.75 PRKCA (0.46) TMEM97KDM4EALDH1A1HIF1AMEN1
SCHEMBL10283261 0.74 PRKCA (0.45) KDM4EALDH1A1MAPTMAPK1KMT2A
SCHEMBL14572879 0.74 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPTTHRB

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 8 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
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
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
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 TMEM97 3248/4885KDM4E 2725/4885PKM 4270/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TMEM97 3248/4885KDM4E 2725/4885PKM 4270/4885

“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.