SCHEMBL4248121

SCHEMBL4248121

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
GAA P10253 2/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NLRP3 Q96P20 1/20 0.53
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.47
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL445528 0.89 LMNA (0.70) LMNAHTTGAAHPGDSMN1; SMN2
SCHEMBL29212188 0.82 LMNA (0.74) LMNAHTTGAAHPGDSMN1; SMN2
SCHEMBL445576 0.82 LMNA (0.60) LMNAHTTGAAHPGDSMN1; SMN2
SCHEMBL4251759 0.81 ALDH1A1 (0.55) LMNAHTTHPGDSMN1; SMN2KMT2A
SCHEMBL4257390 0.81 NPC1 (0.71) HPGDSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3409630 0.81 LMNA (0.73) LMNAHTTGAAHPGDSMN1; SMN2
SCHEMBL4257476 0.79 RAB9A (0.50) LMNAHTTHPGDSMN1; SMN2MEN1
SCHEMBL4251640 0.79 SMN1; SMN2 (0.48) LMNAHTTHPGDSMN1; SMN2MEN1
SCHEMBL4252262 0.79 HDAC1 (0.52) HPGDSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4252253 0.79 HDAC1 (0.52) HPGDSMN1; SMN2KDM4ENPC1RAB9A

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 LMNA 2081/4885HTT 197/4885GAA 247/4885

“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.