SCHEMBL2733159

SCHEMBL2733159

O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
PREP P48147 5/20 0.60
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NOTUM Q6P988 1/20 0.55
CTRB1 P17538 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL28367 1.00 L3MBTL1 (0.67) L3MBTL1NPC1RAB9APREPTSHR
SCHEMBL16750358 0.83 PREP (0.58) L3MBTL1PREPTSHRALDH1A1CTRB1
SCHEMBL9371882 0.82 PREP (0.62) L3MBTL1PREPTSHRCTRB1NPSR1
SCHEMBL11262909 0.81 PREP (0.69) L3MBTL1PREPTSHRCTRB1NPSR1
SCHEMBL11262912 0.81 PREP (0.69) L3MBTL1PREPTSHRCTRB1NPSR1
SCHEMBL30659283 0.81 NPC1 (1.00) L3MBTL1NPC1RAB9ATSHRALDH1A1
SCHEMBL7469639 0.81 NPC1 (1.00) L3MBTL1NPC1RAB9ATSHRALDH1A1
SCHEMBL8750854 0.80 PREP (0.68) L3MBTL1PREPTSHRCTRB1NPSR1
SCHEMBL488744 0.80 PREP (0.68) L3MBTL1PREPTSHRCTRB1NPSR1
SCHEMBL20678314 0.80 PREP (0.71) L3MBTL1PREPTSHRALDH1A1CTRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 L3MBTL1 1337/4885NPC1 684/4885RAB9A 2819/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 L3MBTL1 1354/4885NPC1 650/4885RAB9A 2841/4885

“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.