SCHEMBL792812

SCHEMBL792812

O=COc1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TMEM97 Q5BJF2 3/20 0.35
HRH1 P35367 1/20 0.34
NR1I2 O75469 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL10283179 0.86 ALDH1A1 (0.39) ALDH1A1GAAKDM4EKMT2AMAPT
Hydrochloric Acid SCHEMBL772339 0.86 ALDH1A1 (0.39) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL792422 0.86 TMEM97 (0.41) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL771631 0.85 TMEM97 (0.39) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL804147 0.83 TMEM97 (0.37) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL10283262 0.78 PRKCA (0.48) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL803809 0.76 PRKCA (0.46) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL792637 0.75 PRKCA (0.33) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL10283571 0.70 PRKCA (0.48) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL804590 0.70 PRKCA (0.48) ALDH1A1GAAKDM4EKMT2AMAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885GAA 374/4885KDM4E 2725/4885

“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.