SCHEMBL773613

SCHEMBL773613

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3ccc(N(C)C(=O)O)cc3)c3nc(C)no3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
NR1I2 O75469 6/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN5A Q14524 2/20 0.37
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL773244 0.92 KCNH2 (0.39) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3778289 0.91 KCNH2 (0.38) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL10283254 0.90 KCNH2 (0.39) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL2203659 0.88 KCNH2 (0.38) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL772547 0.86 KCNH2 (0.40) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL773022 0.82 KCNH2 (0.40) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL772860 0.82 NR1I2 (0.38) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL772439 0.81 SMN1; SMN2 (0.39) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3783427 0.80 ROCK2 (0.42) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL2202851 0.80 KCNH2 (0.42) KCNH2NR1I2CYP3A4CYP2C9CYP2C19

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 KCNH2 3813/4885NR1I2 1189/4885CYP3A4 1341/4885

“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.