SCHEMBL792897

SCHEMBL792897

Cc1ccc2c(c1)N(CCN1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(S(=O)(=O)NC(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
PLK1 P53350 3/20 0.33
PARG Q86W56 1/20 0.33
MBTD1 Q05BQ5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRPF1 P55201 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 3/20 0.32
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.31
NR1I2 O75469 2/20 0.31

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
SCHEMBL792954 0.88 SCN9A (0.39) SCN9AALDH1A1USP2SMN1; SMN2NPSR1
SCHEMBL792684 0.88 SCN9A (0.35) SCN9AMBTD1L3MBTL1ALDH1A1TSHR
SCHEMBL12429173 0.88 PARG (0.36) SCN9APARGBRPF1ALDH1A1SMN1; SMN2
SCHEMBL804612 0.80 PRKCA (0.45) SCN9AL3MBTL1NR1I2SLC6A4DRD3
SCHEMBL12427971 0.80 PRKCA (0.45) SCN9AL3MBTL1NR1I2SLC6A4DRD3
SCHEMBL12427895 0.80 PRKCA (0.45) SCN9AL3MBTL1NR1I2SLC6A4DRD3
SCHEMBL803833 0.80 PRKCA (0.45) SCN9AL3MBTL1NR1I2SLC6A4DRD3
SCHEMBL10283213 0.80 F10 (0.39) SCN9ANR1I2HRH3
SCHEMBL792442 0.80 OPRM1 (0.34) LMNAOPRM1DRD3OPRK1KCNH2
SCHEMBL792253 0.79 MAPT (0.34) SCN9AALDH1A1SMN1; SMN2TSHRLMNA

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 3087/4885PLK1 1122/4885PARG 3896/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885PLK1 1122/4885PARG 3896/4885

“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.