SCHEMBL14288355

SCHEMBL14288355

CC(C)c1ccc2sc(N(C)C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SCN4A P35499 1/20 0.45
MAPT P10636 2/20 0.40
PAX8 Q06710 1/20 0.40
NOD2 Q9HC29 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SCN10A Q9Y5Y9 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
SCHEMBL20890069 0.87 RAB9A (0.61) HTTRAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL11837678 0.79 HDAC6 (0.46) HTTRAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL85424 0.77 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2SCN4AMAPT
SCHEMBL31359263 0.77 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2SCN4AMAPT
SCHEMBL889391 0.77 RAB9A (0.49) RAB9ANPC1SMN1; SMN2SCN4AMAPT
SCHEMBL13533137 0.76 RAB9A (0.75) HTTRAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL21154115 0.76 SMN1; SMN2 (0.56) HTTRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18239678 0.76 HTT (0.51) HTTRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL14288353 0.76 RAB9A (0.47) HTTRAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL5421955 0.76 MAPT (0.53) HTTRAB9ANPC1SMN1; SMN2MAPT

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 2 patents. 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
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 HTT 16/4885RAB9A 2502/4885NPC1 590/4885

“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.