SCHEMBL4250302

SCHEMBL4250302

COc1ccc(C(=O)NCCOc2ccc(C(=S)NO)cc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.56
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL444829 0.90 NPC1 (0.63) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4253914 0.85 NPC1 (0.59) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4250755 0.85 NPC1 (0.69) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4248684 0.83 KMT2A (0.63) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4258483 0.82 MEN1 (0.54) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL4258469 0.81 ALDH1A1 (0.53) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4255588 0.81 TP53 (0.58) NPC1L3MBTL1RAB9ARECQLKMT2A
SCHEMBL4253856 0.80 MEN1 (0.50) NPC1MAPTLMNAL3MBTL1RAB9A
SCHEMBL13913267 0.79 ALDH1A1 (0.53) NPC1MAPTLMNARAB9AALDH1A1
SCHEMBL4249825 0.79 HDAC1 (0.48) NPC1RAB9ARECQLALDH1A1HPGD

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 1960/4885MAPT 2673/4885LMNA 2081/4885

“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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