SCHEMBL492833

SCHEMBL492833

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
FKBP1A P62942 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL492556 0.93 L3MBTL1 (0.42) KMT2ALMNAMEN1MAPTL3MBTL1
SCHEMBL492697 0.91 ALDH1A1 (0.47) KMT2ALMNAMEN1MAPTALDH1A1
SCHEMBL493071 0.91 ALDH1A1 (0.40) KMT2ALMNAMEN1MAPTL3MBTL1
SCHEMBL493522 0.89 FKBP1A (0.41) KMT2AALDH1A1HCRTR1HCRTR2HPGD
SCHEMBL492610 0.89 ALDH1A1 (0.47) KMT2ALMNAMEN1MAPTALDH1A1
SCHEMBL492649 0.88 ALDH1A1 (0.38) KMT2AL3MBTL1ALDH1A1PKMUSP2
SCHEMBL493162 0.86 POLB (0.39) KMT2ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL493363 0.86 NPC1 (0.40) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL492503 0.86 FKBP1A (0.41) KMT2AALDH1A1HCRTR1HCRTR2HPGD
SCHEMBL492726 0.85 ALDH1A1 (0.46) KMT2ALMNAMEN1MAPTL3MBTL1

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 4 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
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 1749/4885LMNA 2485/4885MEN1 4132/4885

“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.