SCHEMBL4248229

SCHEMBL4248229

O=C(NCCOc1ccc(C(=S)NO)cc1)c1sc2ccccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 9/20 0.52
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
PRNP P04156 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
OGG1 O15527 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
SCHEMBL443764 0.91 HDAC1 (0.60) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL4252431 0.88 NPC1 (0.46) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL445706 0.78 NPC1 (0.52) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL4257390 0.78 NPC1 (0.71) HDAC1HDAC8HDAC6MAPTRAB9A
SCHEMBL4252262 0.77 HDAC1 (0.52) HDAC1HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL4255520 0.76 SMN1; SMN2 (0.51) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL4252170 0.75 HDAC8 (0.52) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL4250461 0.75 NPC1 (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4252991 0.75 KMT2A (0.56) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL4251124 0.75 SLC9A1 (0.41) HDAC1HDAC8HDAC6MAPTALDH1A1

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 1/4885HDAC8 2/4885HDAC6 11/4885

“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.