SCHEMBL4247491

SCHEMBL4247491

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.51
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.46
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL443554 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4253188 0.88 KMT2A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4252430 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL4253856 0.82 MEN1 (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4257390 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL4255588 0.81 TP53 (0.58) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL4247091 0.81 MEN1 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4250755 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4249444 0.79 HDAC3 (0.55) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4255259 0.79 RAB9A (0.74) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 3763/4885SMN1; 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.