SCHEMBL4249825

SCHEMBL4249825

COc1ccc2cc(C(=O)NCCOc3ccc(C(=S)NO)cc3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.48
▸ CLK1 P49759 2/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CHRNA7 P36544 3/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL4257504 0.97 HDAC1 (0.47) HDAC1CLK1NPC1RECQLRAB9A
SCHEMBL4249835 0.92 CLK1 (0.58) HDAC1CLK1NPC1
SCHEMBL443592 0.91 HDAC1 (0.54) HDAC1CLK1NPC1RECQLRAB9A
SCHEMBL443765 0.88 HDAC1 (0.53) HDAC1CLK1NPC1RAB9AHPGD
SCHEMBL4252262 0.87 HDAC1 (0.52) HDAC1CLK1NPC1RAB9AHPGD
SCHEMBL4255195 0.84 NPC1 (0.51) HDAC1CLK1NPC1RAB9AALDH1A1
SCHEMBL4251113 0.84 RAB9A (0.57) HDAC1CLK1RAB9AHDAC3HDAC4
SCHEMBL445756 0.82 CLK1 (0.61) HDAC1CLK1NPC1HDAC6
SCHEMBL4253298 0.82 HDAC1 (0.45) HDAC1CLK1NPC1RAB9AALDH1A1
SCHEMBL4252178 0.81 NPC1 (0.47) HDAC1CLK1NPC1RAB9AALDH1A1

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 HDAC1 1/4885CLK1 3179/4885NPC1 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.

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