SCHEMBL6693151

SCHEMBL6693151

NC(=O)CC[CH][C@H](O)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.45
HDAC4 P56524 6/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
FAAH O00519 3/20 0.39
CES1 P23141 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL5463815 0.86 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5466798 0.86 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7530052 0.81 NPC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630971 0.80 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5703678 0.80 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6207598 0.80 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7255759 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7255756 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5955200 0.73 FAAH (0.48) NPC1RAB9AFAAHCES1ALDH1A1
SCHEMBL11821238 0.73 RAB9A (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HDAC3 251/4885HDAC4 704/4885HDAC1 284/4885

“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.