SCHEMBL804318

SCHEMBL804318

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccn4)cc3N(C=O)CC(=O)N3CCCCC3)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
SCN9A Q15858 5/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MCHR1 Q99705 1/20 0.34
NR1I2 O75469 1/20 0.34
RHOA P61586 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MET P08581 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL10283486 0.91 HDAC1 (0.39) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL792958 0.77 ALDH1A1 (0.35) SCN9AALDH1A1KDM4EPOLBGAA
SCHEMBL792698 0.75 MET (0.38) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL2273051 0.73 PRKCA (0.48) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL2272974 0.72 PRKCA (0.48) CYP3A4CYP2C19CYP2C9ALDH1A1NR1I2
SCHEMBL1260089 0.72 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL4809086 0.71 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL2276602 0.70 PARP1 (0.41) ALDH1A1KDM4EGAAMCHR1MAPT
SCHEMBL12429233 0.69 PRKCA (0.48) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A
SCHEMBL2875194 0.69 SCN9A (0.48) CYP3A4CYP2C19CYP2C9CYP2D6SCN9A

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 1 patent. 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

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 CYP3A4 1341/4885CYP2C19 1316/4885CYP2C9 976/4885

“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.