SCHEMBL4254124

SCHEMBL4254124

CN1CCN(c2ccc(C(=O)NCCOc3ccc(C(=S)NO)cc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 4/20 0.51
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.49
KIT P10721 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL446161 0.91 MAPT (0.62) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL4253993 0.86 NPC1 (0.47) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL4255461 0.82 NPC1 (0.42) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL4254171 0.80 NPC1 (0.52) MAPTHPGDMEN1KMT2ANPC1
SCHEMBL4257390 0.79 NPC1 (0.71) MAPTHPGDMEN1KMT2ANPC1
SCHEMBL4257451 0.78 NPC1 (0.70) MAPTHPGDMEN1KMT2ANPC1
SCHEMBL4254200 0.77 HDAC6 (0.43) NPC1KITL3MBTL1HDAC8HDAC2
SCHEMBL443244 0.77 NPC1 (0.51) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL4249319 0.76 HRH3 (0.53) ALDH1A1
SCHEMBL4250755 0.75 NPC1 (0.69) MAPTHPGDHSD17B10MEN1KMT2A

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 MAPT 2673/4885HPGD 351/4885TSHR 2266/4885

“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.