SCHEMBL4252430

SCHEMBL4252430

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HDAC1 Q13547 8/20 0.53
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC3 O15379 7/20 0.53
▸ HDAC4 P56524 7/20 0.53
▸ HDAC7 Q8WUI4 7/20 0.53
▸ HDAC2 Q92769 7/20 0.53
▸ HDAC10 Q969S8 7/20 0.53
▸ HDAC11 Q96DB2 7/20 0.53
▸ HDAC8 Q9BY41 7/20 0.53
▸ HDAC9 Q9UKV0 7/20 0.53
▸ HDAC5 Q9UQL6 7/20 0.53
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL29462107 0.89 HDAC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL444832 0.89 HDAC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4257390 0.87 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4248703 0.87 HDAC6 (0.52) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4248905 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4247509 0.84 MAPT (0.48) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4247491 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4253304 0.83 MAPT (0.71) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4247864 0.83 HDAC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4252170 0.82 HDAC8 (0.52) NPC1RAB9ASMN1; SMN2HPGDHDAC1

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.

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