SCHEMBL4248905

SCHEMBL4248905

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCAT1 P54687 1/20 0.47
HPGDS O60760 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL447481 0.90 NPC1 (0.54) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4248703 0.87 HDAC6 (0.52) NPC1RAB9AHPGDSMN1; SMN2HDAC1
SCHEMBL4252430 0.87 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4250281 0.84 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4247509 0.83 MAPT (0.48) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4253304 0.82 MAPT (0.71) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4257390 0.81 NPC1 (0.71) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4257484 0.80 NPC1 (0.61) NPC1RAB9AHPGDSMN1; SMN2HDAC3
SCHEMBL4250481 0.79 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4258464 0.78 MAPT (0.49) NPC1RAB9AHPGDSMN1; SMN2HDAC3

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 3763/4885HPGD 351/4885

“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.