SCHEMBL4826344

SCHEMBL4826344

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3O)n(CCO)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.41
CYP3A4 P08684 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PKM P14618 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL769188 0.84 ALDH1A1 (0.40) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL14263695 0.83 HDAC1 (0.32) SCN9AHDAC1HDAC8HDAC6
SCHEMBL3724713 0.81 PKM (0.37) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL14435383 0.80 SCN9A (0.38) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL4829898 0.79 SCN9A (0.38) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL4822208 0.79 HDAC1 (0.41) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL772730 0.79 PKM (0.43) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL3571468 0.77 FABP4 (0.41) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL13736811 0.76 CREBBP (0.36) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL14253193 0.76 SCN9A (0.40) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6

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 9 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 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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (2 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 SCN9A 4635/4885CYP3A4 500/4885CYP2C19 867/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SCN9A 4635/4885CYP3A4 500/4885CYP2C19 867/4885

“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.