SCHEMBL492425

SCHEMBL492425

CN(C)C(c1cccs1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 4/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
TGM2 P21980 2/20 0.35
F13A1 P00488 1/20 0.35
TGM1 P22735 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL492789 0.95 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1KMT2AMAPT
SCHEMBL493906 0.94 ALDH1A1 (0.44) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL493036 0.93 ALDH1A1 (0.44) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL493152 0.93 ALDH1A1 (0.44) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL492160 0.89 GAA (0.42) ALDH1A1PKML3MBTL1KMT2AMAPT
SCHEMBL493140 0.89 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1KMT2AMEN1
SCHEMBL492783 0.89 ALDH1A1 (0.43) ALDH1A1PKMKMT2AMAPTATM
SCHEMBL492784 0.89 KMT2A (0.46) ALDH1A1PKML3MBTL1KMT2AMAPT
SCHEMBL492562 0.88 EPHX2 (0.41) ALDH1A1PKMMAPT
SCHEMBL493450 0.88 ALDH1A1 (0.40) ALDH1A1PKML3MBTL1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ALDH1A1 1349/4885PKM 1161/4885L3MBTL1 4753/4885

“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.