SCHEMBL4248703

SCHEMBL4248703

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 2/20 0.52
NPC1 O15118 7/20 0.50
PLK1 P53350 1/20 0.50
BCAT1 P54687 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL443004 0.90 HDAC6 (0.55) HDAC6HDAC1NPC1PLK1BCAT1
SCHEMBL4248905 0.87 NPC1 (0.51) HDAC6HDAC1NPC1BCAT1HTT
SCHEMBL4252430 0.87 NPC1 (0.53) HDAC6HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL4249831 0.81 KMT2A (0.52) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4251239 0.80 POLB (0.49) HDAC6HDAC1NPC1ALOX15RAB9A
SCHEMBL4257493 0.80 ALDH1A1 (0.60) NPC1ALOX15RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3978755 0.80 HTR1A (0.62) HDAC6HDAC1NPC1PLK1BCAT1
SCHEMBL4257390 0.79 NPC1 (0.71) HDAC6HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL4252991 0.79 KMT2A (0.56) HDAC6HDAC1NPC1HTTRAB9A
SCHEMBL13736544 0.79 ADRA1A (0.53) HDAC6HDAC1NPC1PLK1ALOX15

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 HDAC6 11/4885HDAC1 1/4885NPC1 1960/4885

“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.