SCHEMBL772860

SCHEMBL772860

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3ccc(N(Cc4ccccc4)C(=O)O)cc3)c3csc(C)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 7/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
PTPRB P23467 1/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 1/20 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
PTPN1 P18031 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
SCHEMBL2203659 0.92 KCNH2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3841663 0.89 KCNH2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL773151 0.89 KCNH2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12429109 0.88 PTPN1 (0.38) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12429113 0.88 KCNH2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL773613 0.82 KCNH2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL771600 0.81 PTPN1 (0.41) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2200713 0.81 CYP3A4 (0.44) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL771675 0.80 CYP3A4 (0.38) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2201045 0.80 CYP3A4 (0.37) NR1I2CYP3A4CYP2C9CYP2C19KCNH2

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 NR1I2 1189/4885CYP3A4 1341/4885CYP2C9 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.