SCHEMBL4255609

SCHEMBL4255609

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc2[nH]nnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.52
MAPK1 P28482 1/20 0.46
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL446288 0.90 NPC1 (0.55) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL4253917 0.84 NPC1 (0.50) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL13411775 0.83 NPC1 (0.56) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL2705734 0.79 ALDH1A1 (0.45) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL4247864 0.79 HDAC1 (0.55) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL4252430 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL4247491 0.77 NPC1 (0.51) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL4257390 0.76 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDHDAC3
SCHEMBL4248703 0.76 HDAC6 (0.52) NPC1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL10584547 0.75 FLT3 (0.51) FLT3

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 1960/4885MAPK1 4159/4885RAB9A 3763/4885

“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.