SCHEMBL4247487

SCHEMBL4247487

O=C(NCC#Cc1ccc(C(=S)NO)cc1)c1cc2cc(OCCN3CCCC3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.44
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ACACB O00763 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 1/20 0.40
HDAC1 Q13547 2/20 0.39
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.39
RET P07949 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
FLT3 P36888 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ATF4 P18848 1/20 0.39

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
SCHEMBL4253905 0.94 ALDH1A1 (0.45) KDM4EACACBDRD2DRD3PSMB1
SCHEMBL5492849 0.93 HDAC1 (0.46) ADAM17MCHR1KDM4EACACBDRD2
Hydrochloric Acid SCHEMBL4817770 0.92 HDAC1 (0.46) ADAM17MCHR1KDM4EACACBDRD2
SCHEMBL4248598 0.88 HPGD (0.48) ADAM17MCHR1KDM4EDRD2DRD3
SCHEMBL4247166 0.88 HDAC3 (0.44) ACACBHDAC1HDAC8HDAC6TSHR
SCHEMBL5498703 0.86 HDAC1 (0.52) KDM4EACACBHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4809157 0.86 HDAC1 (0.51) KDM4EACACBHDAC1HDAC8HDAC6
SCHEMBL4249839 0.84 ADAM17 (0.44) ADAM17MCHR1KDM4EDRD2DRD3
SCHEMBL4255177 0.82 MMP13 (0.49) KDM4EHDAC1HDAC8HDAC6TSHR
SCHEMBL4255578 0.82 TAS1R3 (0.49) ADAM17MCHR1KDM4EDRD2DRD3

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 ADAM17 1638/4885MCHR1 4598/4885KDM4E 369/4885

“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.