SCHEMBL4255656

SCHEMBL4255656

O=C(NCCOc1ccc(C(=S)NO)cc1)c1oc2ccccc2c1CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.48
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 4/20 0.42

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
SCHEMBL443177 0.92 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL445415 0.85 HDAC6 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4252474 0.85 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL445507 0.84 HDAC6 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4255184 0.84 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4256697 0.83 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL443261 0.83 HDAC6 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4254186 0.82 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4248569 0.82 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4247721 0.81 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC8

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 3/4885HDAC1 1/4885HDAC2 4/4885

“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.