SCHEMBL4258387

SCHEMBL4258387

CC(C)(C#Cc1ccc(C(=S)NO)cc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCAT1 P54687 1/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL4813798 0.91 TDP1 (0.47) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4250748 0.83 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4258421 0.79 RAB9A (0.42) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4250887 0.77 RAB9A (0.41) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4247756 0.77 RAB9A (0.40) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4255699 0.77 RAB9A (0.40) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4248565 0.75 RAB9A (0.39) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4815931 0.73 SMN1; SMN2 (0.52) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4255518 0.73 ALDH1A1 (0.55) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL8110867 0.72 MAOA (0.67) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 NPC1 1960/4885RAB9A 3763/4885ALDH1A1 601/4885

“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.