SCHEMBL5435258

SCHEMBL5435258

CN1CCC(CN(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
HDAC1 Q13547 1/20 0.38
MCHR1 Q99705 1/20 0.35
PTGER4 P35408 1/20 0.35
FABP4 P15090 2/20 0.34
SCN9A Q15858 2/20 0.34
BACE1 P56817 1/20 0.33
NR1I2 O75469 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PARP1 P09874 1/20 0.33
HTR2A P28223 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5442306 0.88 PRKCA (0.44) PRKCAMMP12MCHR1SCN9ABACE1
SCHEMBL5402086 0.87 PRKCA (0.47) PRKCAMMP12MCHR1SCN9A
SCHEMBL5441086 0.85 PRKCA (0.40) PRKCAMMP12MCHR1PTGER4FABP4
SCHEMBL2907228 0.85 PRKCA (0.50) PRKCAMMP12FABP4SCN9ANR1I2
SCHEMBL5431324 0.84 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2
SCHEMBL5402256 0.84 PRKCA (0.47) PRKCAMMP12FABP4
SCHEMBL5448428 0.83 PRKCA (0.47) PRKCAMMP12
Trifluoroacetic Acid SCHEMBL5439078 0.83 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2PARP1
SCHEMBL2909117 0.81 PRKCA (0.44) PRKCAMMP12FABP4SCN9A
SCHEMBL5442308 0.80 PRKCA (0.36) PRKCAMMP12MCHR1SCN9ANR1I2

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 4 patents. 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 claimed
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
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
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 PRKCA 4676/4885MMP12 3218/4885HDAC1 82/4885

“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.