SCHEMBL772156

SCHEMBL772156

CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCC(=O)c1cc(OCc2ccccc2)ccc1-3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
MCHR1 Q99705 1/20 0.39
NMT1 P30419 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL772855 0.93 MAOB (0.42) MAOBMAOAMCHR1ALDH1A1SMN1; SMN2
SCHEMBL14572880 0.87 MAOB (0.43) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL771439 0.86 GAA (0.39) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL772345 0.80 MAOB (0.46) MAOBMAOAMCHR1ALDH1A1SMN1; SMN2
SCHEMBL772631 0.75 PARP1 (0.38) ALDH1A1SMN1; SMN2NPSR1L3MBTL1MAPT
SCHEMBL771452 0.75 KIT (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14572879 0.74 ALDH1A1 (0.37) HSP90AA1KMT2AMAOBMAOAALDH1A1
SCHEMBL12597543 0.73 GABRA2 (0.45) GABRA2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL792770 0.73 MAOB (0.44) MAOBMAOAMCHR1ALDH1A1SMN1; SMN2
SCHEMBL803848 0.72 MAOB (0.42) MAOBMAOAMCHR1ALDH1A1SMN1; SMN2

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 6 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
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 PPARG 736/4885GABRA1 3224/4885GABRG2 3452/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PPARG 736/4885GABRA1 3224/4885GABRG2 3452/4885

“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.