SCHEMBL15311487

SCHEMBL15311487

CC(N)CC(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL13929428 0.89 LMNA (0.58) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL13996047 0.89 LMNA (0.58) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL14011507 0.89 LMNA (0.58) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL14923573 0.84 CTSK (0.54) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL118081 0.84 CTSK (0.54) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL3755737 0.84 CTSK (0.54) CTSKCTSSMEN1KMT2ANPSR1
SCHEMBL20792264 0.84 NPSR1 (0.45) MEN1KMT2ANPSR1LMNAATM
SCHEMBL17596545 0.83 CTSK (0.51) CTSKCTSSALDH1A1MAPTATM
SCHEMBL56596 0.83 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL12724172 0.83 CTSK (0.53) CTSKCTSSMAPTATMCTSL

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
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 EP disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 EP disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 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-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT2A1, SULT1A1, SFPQ CTSK 4212/4885CTSS 3761/4885MEN1 3287/4885

“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.