SCHEMBL14288342

SCHEMBL14288342

CCSc1ccc2cc(C(C)C)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 1/20 0.37
SCN4A P35499 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TYR P14679 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
PSMB5 P28074 1/20 0.35
PRNP P04156 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 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
SCHEMBL14310637 0.78 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL18948584 0.75 PDE10A (0.53) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL17614927 0.74 TYR (0.46) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20049185 0.72 PDE10A (0.54) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL889349 0.72 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL21195656 0.72 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL1102403 0.72 CYP1A2 (0.59) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL10122186 0.72 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL8347789 0.72 PRNP (0.59) RAB9ASMN1; SMN2ALDH1A1PRNPMEN1
SCHEMBL20032101 0.71 CYP1A2 (0.33) PDE10AKDM4ECYP1A2

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-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 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-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 PDE10A 4311/4885NPC1 590/4885SCN4A 2858/4885

“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.