SCHEMBL4258464

SCHEMBL4258464

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc(O)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 8/20 0.45
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42

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
SCHEMBL443686 0.91 MAPT (0.52) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4254739 0.87 BRD4 (0.49) MAPTL3MBTL1NPC1RAB9AHPGD
SCHEMBL4258468 0.86 MAPT (0.46) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4254741 0.84 MAPT (0.44) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4254095 0.84 MAPT (0.46) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4250281 0.83 NPC1 (0.53) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4253304 0.83 MAPT (0.71) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4247509 0.80 MAPT (0.48) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4257390 0.79 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4250397 0.79 MAPT (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; 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 MAPT 2673/4885L3MBTL1 1527/4885NPC1 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.