SCHEMBL4251640

SCHEMBL4251640

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccccc1OCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTSR1 P30989 1/20 0.43
NOD2 Q9HC29 1/20 0.43
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
HCRTR1 O43613 1/20 0.42
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL446088 0.91 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4257476 0.83 RAB9A (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4251759 0.79 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4248121 0.79 LMNA (0.65) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4252170 0.75 HDAC8 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4257390 0.75 NPC1 (0.71) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL4249441 0.74 KMT2A (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL445319 0.73 RAB9A (0.55) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4258483 0.73 MEN1 (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL4250461 0.73 NPC1 (0.57) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A

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 SMN1; SMN2 3469/4885ALDH1A1 601/4885RAB9A 3763/4885

“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.