SCHEMBL4249444

SCHEMBL4249444

CCOc1cccc(C(=O)NCCOc2ccc(C(=S)NO)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ HDAC5 Q9UQL6 2/20 0.55
▸ F10 P00742 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL442988 0.90 SMPD1 (0.60) F10POLBALDH1A1NPC1RAB9A
SCHEMBL4257390 0.83 NPC1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4257476 0.83 RAB9A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4252430 0.81 NPC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4250755 0.81 NPC1 (0.69) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4255588 0.80 TP53 (0.58) POLBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4247491 0.79 NPC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5805755 0.79 NPC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13753863 0.78 L3MBTL1 (0.63) HDAC3POLBALDH1A1NPC1RAB9A
SCHEMBL4257451 0.78 NPC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 3/4885HDAC4 9/4885HDAC1 1/4885

“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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