SCHEMBL792954

SCHEMBL792954

CC(=O)NS(=O)(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1cc(C)ccc1-3

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
TSHR P16473 2/20 0.34
RECQL P46063 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CFB P00751 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1I2 O75469 3/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CCKBR P32239 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
SCHEMBL10283213 0.92 F10 (0.39) SCN9APKMHRH3NR1I2
SCHEMBL792897 0.88 SCN9A (0.34) SCN9AALDH1A1SMN1; SMN2NPSR1USP2
SCHEMBL792684 0.87 SCN9A (0.35) SCN9AALDH1A1HRH3TSHRRECQL
SCHEMBL12427895 0.83 PRKCA (0.45) SCN9AHRH3KDM4ENR1I2
SCHEMBL12427971 0.83 PRKCA (0.45) SCN9AHRH3KDM4ENR1I2
SCHEMBL803833 0.83 PRKCA (0.45) SCN9AHRH3KDM4ENR1I2
SCHEMBL804612 0.83 PRKCA (0.45) SCN9AHRH3KDM4ENR1I2
SCHEMBL792442 0.79 OPRM1 (0.34)
SCHEMBL10283202 0.79 PRKCA (0.45) SCN9AHRH3KDM4ENR1I2
SCHEMBL792253 0.79 MAPT (0.34) SCN9AALDH1A1SMN1; SMN2TSHRKDM4E

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 3087/4885PKM 4270/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885PKM 4270/4885ALDH1A1 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.