SCHEMBL4253997

SCHEMBL4253997

O=C(c1ccccc1)N(CCOc1ccc(C(=S)NO)cc1)OC1C=CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC1 Q13547 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
LMNA P02545 3/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL445801 0.91 HDAC6 (0.45) MAPTHDAC6KDM1ASMN1; SMN2HDAC1
SCHEMBL4257390 0.67 NPC1 (0.71) MAPTHDAC6SMN1; SMN2KMT2AMEN1
SCHEMBL445803 0.66 NPC1 (0.49) ALDH1A1HDAC6KDM1ASMN1; SMN2KMT2A
SCHEMBL4250759 0.63 BCHE (0.60) BCHEACHE
SCHEMBL4251104 0.62 NPC1 (0.61) MAPTHDAC6SMN1; SMN2KMT2AMEN1
SCHEMBL4258414 0.62 KDM1A (0.54) MAPTALDH1A1HDAC6KDM1ASMN1; SMN2
SCHEMBL4252209 0.62 TAAR1 (0.57) MAPTHDAC6SMN1; SMN2KMT2AMEN1
SCHEMBL4258271 0.61 BCHE (0.52) BCHEACHE
SCHEMBL11580874 0.61 CHRNA7 (0.45) KMT2AMEN1LMNAGAA
SCHEMBL446016 0.61 HDAC6 (0.53) HDAC6KDM1ASMN1; SMN2HDAC1NPC1

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 MAPT 2673/4885ALDH1A1 601/4885HDAC6 11/4885

“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.