SCHEMBL4828039

SCHEMBL4828039

CCN(C)C(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 9/20 0.60
KCNH2 Q12809 7/20 0.56
CYP3A4 P08684 3/20 0.56
SCN5A Q14524 2/20 0.56
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SCN9A Q15858 4/20 0.41

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
SCHEMBL13940488 0.95 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940369 0.94 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940975 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL732284 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940403 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4831692 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940483 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940193 0.93 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14520029 0.91 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4822397 0.91 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US claimed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US claimed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885KCNH2 4176/4885CYP3A4 500/4885

“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.