SCHEMBL4255259

SCHEMBL4255259

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.74
NPC1 O15118 8/20 0.74
SMN1; SMN2 Q16637 4/20 0.73
TP53 P04637 1/20 0.73
HPGD P15428 3/20 0.61
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL444577 0.90 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4247491 0.79 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4252430 0.79 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4257390 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL4255588 0.77 TP53 (0.58) RAB9ANPC1SMN1; SMN2TP53HTT
SCHEMBL4250755 0.77 NPC1 (0.69) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4249444 0.76 HDAC3 (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4257451 0.75 NPC1 (0.70) RAB9ANPC1SMN1; SMN2HPGDHTT
SCHEMBL4247864 0.75 HDAC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDHDAC1
SCHEMBL4253188 0.75 KMT2A (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 3763/4885NPC1 1960/4885SMN1; SMN2 3469/4885

“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.