SCHEMBL870151

SCHEMBL870151

CN(C)c1cccc2[c]c(S(=O)(=O)c3cccc4c(N(C)C)cccc34)ccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
EDNRA P25101 9/20 0.45
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29550086 0.73 CA2 (0.55) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL8522841 0.73 CA2 (0.55) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL18669851 0.73 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9019311 0.72 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1131010 0.72 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
Nitrogen SCHEMBL2132642 0.71 CA2 (0.65) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL8839039 0.71 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL11127453 0.71 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL27613656 0.71 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL108421 0.71 CA2 (1.00) CA2CYP1A2CYP2C19HTTHIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077973-A1 Sulphonylated Diphenylethylenediamines, Method for Their Preparation and Use in Transfer Hydrogenation Catalysis BIAL - PORTELA & CA, S.A. (PT) 2012-03-29 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-20120077973-A1 Sulphonylated Diphenylethylenediamines, Method for Their Preparation and Use in Transfer Hydrogenation Catalysis ARSA, PDXK, AOC1 CA2 3146/4885CYP1A2 102/4885CYP2C19 221/4885

“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.