SCHEMBL4258483

SCHEMBL4258483

Cc1cccc(C(=O)NCCOc2ccc(C(=S)NO)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ NPC1 O15118 7/20 0.51
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 4/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 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
SCHEMBL442858 0.90 NPC1 (0.58) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4253914 0.83 NPC1 (0.59) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4250302 0.82 NPC1 (0.56) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4250461 0.82 NPC1 (0.57) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4252170 0.82 HDAC8 (0.52) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4257390 0.79 NPC1 (0.71) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4249831 0.79 KMT2A (0.52) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4258436 0.78 HPGD (0.51) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4249441 0.78 KMT2A (0.49) MEN1KMT2APOLBNPC1HPGD
SCHEMBL4258469 0.77 ALDH1A1 (0.53) MEN1KMT2APOLBNPC1HPGD

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 MEN1 4531/4885KMT2A 94/4885POLB 553/4885

“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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