SCHEMBL4251122

SCHEMBL4251122

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
AKR1C3 P42330 1/20 0.51
HTR2C P28335 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 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
SCHEMBL446419 0.90 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HDAC1HDAC2
SCHEMBL4250970 0.87 KDM4E (0.61) KDM4EALDH1A1HDAC1HDAC2HDAC3
SCHEMBL4253309 0.87 HDAC1 (0.55) KDM4EALDH1A1HDAC1HDAC2HDAC3
SCHEMBL4249821 0.84 HDAC1 (0.47) KDM4EHSD17B10ALDH1A1HDAC1HDAC2
SCHEMBL4253730 0.82 HDAC3 (0.59) KDM4EHDAC1HDAC2HDAC3HDAC4
SCHEMBL4252430 0.82 NPC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4251979 0.80 PDE10A (0.47) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4254285 0.80 NPC1 (0.48) HSD17B10HDAC1HDAC2HDAC3HDAC4
SCHEMBL4257390 0.79 NPC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4252235 0.79 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HDAC1HDAC2

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 KDM4E 369/4885HSD17B10 130/4885ALDH1A1 601/4885

“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.