SCHEMBL4255199

SCHEMBL4255199

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 10/20 0.48
POLB P06746 3/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
PKM P14618 2/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4251082 0.94 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTPOLBHPGD
SCHEMBL447432 0.89 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4252424 0.83 NAMPT (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL445811 0.83 MAPT (0.58) ALDH1A1MAPTPOLBHPGDTSHR
SCHEMBL4251410 0.81 NAMPT (0.58)
SCHEMBL4252435 0.81 KDM4E (0.49) NPC1ALDH1A1MAPTPOLBHPGD
SCHEMBL4252421 0.79 PKM (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4870003 0.78 TSHR (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4251760 0.77 HPGD (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL4249828 0.75 HRH3 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 3763/4885NPC1 1960/4885SMN1; SMN2 3469/4885

“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.