SCHEMBL494257

SCHEMBL494257

Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccccc4)N(C)C)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TGM2 P21980 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL492784 0.95 KMT2A (0.46) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL492613 0.93 KMT2A (0.49) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL493390 0.93 ALDH1A1 (0.46) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL492719 0.92 MEN1 (0.41) KMT2AMEN1ALDH1A1CYP3A4PKM
SCHEMBL492469 0.92 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP3A4PKM
SCHEMBL493423 0.91 CCL5 (0.38) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL493833 0.90 KMT2A (0.43) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL493998 0.90 KMT2A (0.49) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL492609 0.90 ALDH1A1 (0.48) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL492707 0.90 KMT2A (0.46) KMT2AMAPTATMMEN1ALDH1A1

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 3 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-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 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.