SCHEMBL792952

SCHEMBL792952

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1cc(OCc2ccccc2)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NR1I2 O75469 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
XIAP P98170 1/20 0.36
PTPN1 P18031 4/20 0.36
CNR2 P34972 1/20 0.36
PRKDC P78527 2/20 0.35
MCHR1 Q99705 1/20 0.35
SCN9A Q15858 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL792958 0.91 ALDH1A1 (0.35) NR1I2SCN9APRKCAMMP12TP53
SCHEMBL792951 0.89 SCN9A (0.39) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL10283474 0.86 USP14 (0.39) NR1I2CNR2SCN9ATP53SMN1; SMN2
SCHEMBL14572864 0.82 SCN9A (0.38) NR1I2SCN9ATP53MEN1ALDH1A1
SCHEMBL14572867 0.81 NR1I2 (0.42) NR1I2CNR2SCN9APRKCAMMP12
SCHEMBL10283248 0.80 CCKBR (0.48) NR1I2SCN9APRKCAMMP12MEN1
SCHEMBL792579 0.80 HDAC1 (0.42) HDAC6HDAC1HDAC8NR1I2CYP3A4
SCHEMBL14572860 0.80 SCN9A (0.41) CNR2SCN9ATP53SMN1; SMN2ALDH1A1
SCHEMBL14253164 0.79 MAOA (0.44) HDAC6HDAC1HDAC8NR1I2CYP3A4
SCHEMBL12510402 0.79 KMT2A (0.34) NR1I2SCN9APRKCAMMP12SMN1; 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 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 HDAC6 82/4885HDAC1 182/4885HDAC8 380/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HDAC6 82/4885HDAC1 182/4885HDAC8 380/4885

“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.