SCHEMBL4255461

SCHEMBL4255461

CN1CCN(c2ncc(-c3ccc(C(=O)NCCOc4ccc(C(=S)NO)cc4)cc3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
HDAC1 Q13547 5/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GAA P10253 1/20 0.40
PRKD1 Q15139 1/20 0.40
KDM1A O60341 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL443202 0.93 HDAC6 (0.47) NPC1HDAC1HPGDMAPTTSHR
SCHEMBL4254200 0.86 HDAC6 (0.43) NPC1HDAC1HDAC6HDAC2HDAC8
SCHEMBL4254124 0.82 MAPT (0.58) NPC1HPGDMAPTTSHRTAAR1
SCHEMBL444535 0.79 HDAC6 (0.51) NPC1HDAC1HPGDHDAC6HDAC2
SCHEMBL4252432 0.76 KDR (0.46) NPC1HDAC1HPGDMAPTTSHR
SCHEMBL446161 0.74 MAPT (0.62) NPC1HDAC1HPGDMAPTTSHR
SCHEMBL4257390 0.73 NPC1 (0.71) NPC1HDAC1HPGDMAPTHDAC6
SCHEMBL8249743 0.72 CHEK1 (0.53) HDAC2TP53
SCHEMBL4250976 0.72 NPC1 (0.54) NPC1HDAC1HPGDHSD17B10HDAC6
SCHEMBL4252173 0.71 MAPT (0.51) NPC1HPGDMAPTTSHRRAB9A

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 NPC1 1960/4885HDAC1 1/4885HPGD 351/4885

“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.