SCHEMBL5440646

SCHEMBL5440646

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
SCN9A Q15858 6/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR2 P34972 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
AKR1B1 P15121 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL394814 0.91 SCN9A (0.43) CYP3A4CYP2C19SCN9AKDM4EALDH1A1
SCHEMBL2906906 0.91 MAPT (0.45) CYP3A4CYP2C19SCN9AKDM4EALDH1A1
SCHEMBL1173770 0.85 SCN9A (0.56) CYP3A4CYP2C19SCN9AKDM4EALDH1A1
SCHEMBL13096065 0.85 CYP3A4 (0.39) USP14CYP3A4CYP2C19SCN9APTGDR2
SCHEMBL1174350 0.84 SCN9A (0.55) CYP3A4CYP2C19SCN9AKDM4EALDH1A1
SCHEMBL10293456 0.84 ALDH1A1 (0.41) CYP3A4CYP2C19SCN9AKDM4EALDH1A1
SCHEMBL1173428 0.82 ALDH1A1 (0.44) USP14CYP3A4CYP2C19SCN9AKDM4E
SCHEMBL5197094 0.82 NR1H4 (0.38) CYP3A4CYP2C19SCN9AKDM4ECYP2C9
SCHEMBL5433925 0.81 PRKCA (0.44) CYP3A4CYP2C19SCN9ACYP2C9
SCHEMBL394368 0.81 CNR2 (0.39) CYP3A4CYP2C19SCN9AKDM4EALDH1A1

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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT USP14 1743/4885CYP3A4 116/4885CYP2C19 984/4885

“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.