SCHEMBL493753

SCHEMBL493753

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCCC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CCL5 P13501 1/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL492886 0.94 KMT2A (0.45) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL493555 0.92 KMT2A (0.50) KMT2AMAPTATMALDH1A1PKM
SCHEMBL493227 0.92 ALDH1A1 (0.50) KMT2AMAPTATMALDH1A1PKM
SCHEMBL492931 0.91 CCL5 (0.43) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL493364 0.89 ALDH1A1 (0.45) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL493093 0.87 KMT2A (0.49) KMT2AMAPTATMALDH1A1L3MBTL1
SCHEMBL492848 0.87 CCL5 (0.42) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL493582 0.87 ALDH1A1 (0.42) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL492297 0.86 PTGIR (0.42) KMT2AMAPTATMALDH1A1CCL5
SCHEMBL493333 0.85 KMT2A (0.45) KMT2AMAPTATMALDH1A1PKM

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 KMT2A 1749/4885MAPT 1653/4885ATM 1904/4885

“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.