SCHEMBL4248722

SCHEMBL4248722

O=C(CN1CCC2CCCC=C2C1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL445745 0.91 KDM1A (0.41) LMNAPKMKMT2AMEN1NPC1
SCHEMBL4249319 0.71 HRH3 (0.53) HRH3ALDH1A1KDM4E
SCHEMBL4251760 0.69 HPGD (0.48) LMNAKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL445746 0.69 HRH3 (0.45) LMNAPKMKMT2AMEN1NPC1
SCHEMBL4254267 0.67 HRH3 (0.42) LMNAKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4253993 0.66 NPC1 (0.47) LMNAKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4251410 0.65 NAMPT (0.58)
SCHEMBL4249828 0.65 HRH3 (0.49) LMNAKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4252209 0.65 TAAR1 (0.57) LMNAKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4257390 0.64 NPC1 (0.71) KMT2AMEN1NPC1SMN1; SMN2RAB9A

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 2081/4885PKM 2127/4885KMT2A 94/4885

“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.