SCHEMBL493519

SCHEMBL493519

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CXCR3 P49682 3/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC9A3 P48764 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGIR P43119 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 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
SCHEMBL493177 0.97 ALDH1A1 (0.38) LMNAALDH1A1CXCR3PKMMEN1
SCHEMBL493376 0.96 ALDH1A1 (0.38) LMNAALDH1A1CXCR3PKMMEN1
SCHEMBL492871 0.96 ALDH1A1 (0.38) LMNAALDH1A1CXCR3PKMMEN1
SCHEMBL492721 0.96 CXCR3 (0.43) LMNAALDH1A1CXCR3PKMMEN1
SCHEMBL493165 0.95 SMN1; SMN2 (0.41) LMNAALDH1A1CXCR3PKMSMN1; SMN2
SCHEMBL492874 0.92 BDKRB1 (0.42) LMNAALDH1A1CXCR3PKMMEN1
SCHEMBL493432 0.91 ALDH1A1 (0.38) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL492548 0.91 ALDH1A1 (0.39) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL493538 0.91 HTT (0.40) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL493380 0.90 BDKRB1 (0.40) LMNAALDH1A1CXCR3PKMMEN1

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 LMNA 2485/4885ALDH1A1 1349/4885CXCR3 4458/4885

“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.