SCHEMBL792951

SCHEMBL792951

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
NR1I2 O75469 2/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 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
SCHEMBL10283474 0.92 USP14 (0.39) SCN9ANR1I2ALDH1A1NPSR1SMN1; SMN2
SCHEMBL792952 0.89 HDAC6 (0.38) SCN9ANR1I2ALDH1A1SMN1; SMN2TP53
SCHEMBL14572864 0.88 SCN9A (0.38) SCN9ANR1I2ALDH1A1RAB9ATP53
SCHEMBL14572867 0.87 NR1I2 (0.42) SCN9ANR1I2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL792958 0.86 ALDH1A1 (0.35) SCN9ANR1I2ALDH1A1TP53MAPT
SCHEMBL14572860 0.85 SCN9A (0.41) SCN9AALDH1A1NPSR1SMN1; SMN2ATM
SCHEMBL14572873 0.85 KMT2A (0.34) SCN9ANR1I2ALDH1A1NPSR1SMN1; SMN2
SCHEMBL12510402 0.85 KMT2A (0.34) SCN9ANR1I2ALDH1A1NPSR1SMN1; SMN2
SCHEMBL14572872 0.83 SCN9A (0.34) SCN9ANR1I2ALDH1A1SMN1; SMN2MAPT
SCHEMBL10283248 0.81 CCKBR (0.48) SCN9ANR1I2ALDH1A1ATMLMNA

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 SCN9A 3087/4885NR1I2 1189/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885NR1I2 1189/4885ALDH1A1 750/4885

“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.