SCHEMBL493100

SCHEMBL493100

CN(Cc1ccccc1)C(c1ccccc1)C1CCC(NC(=O)COCCN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL493531 0.92 BDKRB1 (0.38) ALDH1A1KMT2AMCHR1L3MBTL1POLB
SCHEMBL492775 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AMCHR1L3MBTL1POLB
SCHEMBL493102 0.85 L3MBTL1 (0.34) ALDH1A1KMT2AMCHR1L3MBTL1POLB
SCHEMBL492815 0.84 BDKRB1 (0.36) ALDH1A1KMT2AL3MBTL1POLBHPGD
SCHEMBL493184 0.82 POLB (0.36) ALDH1A1KMT2AL3MBTL1POLBHPGD
SCHEMBL492976 0.81 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1POLBHPGD
SCHEMBL493402 0.80 KMT2A (0.37) ALDH1A1KMT2AL3MBTL1POLBHPGD
SCHEMBL493265 0.79 BDKRB1 (0.35) ALDH1A1KMT2APOLBHPGDMAPT
SCHEMBL493938 0.79 BDKRB1 (0.36) ALDH1A1MCHR1L3MBTL1SIGMAR1NPSR1
SCHEMBL493180 0.78 L3MBTL1 (0.36) ALDH1A1KMT2AMCHR1L3MBTL1POLB

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 ALDH1A1 1349/4885KMT2A 1749/4885MCHR1 4667/4885

“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.