SCHEMBL11935918

SCHEMBL11935918

CC(C)c1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2ccc(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.37
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CYP26A1 O43174 1/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
CA12 O43570 2/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PKM P14618 3/20 0.33
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA9 Q16790 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
SCHEMBL13566111 0.88 MEN1 (0.40) MEN1KMT2AMAOBCA1CA2
SCHEMBL11935916 0.85 MEN1 (0.45) MEN1KMT2AMAOBCA1CA2
SCHEMBL11936081 0.82 MAOB (0.41) MEN1KMT2AMAOBCA1CA2
SCHEMBL10116263 0.81 MEN1 (0.42) MEN1KMT2ACA1CA2KDM4E
SCHEMBL13565688 0.81 MEN1 (0.57) MEN1KMT2AMAOBCA1CA2
SCHEMBL13565991 0.78 DRD4 (0.32) DRD4KDM4EALDH1A1CA9
SCHEMBL11936077 0.75 MEN1 (0.45) MEN1KMT2AMAOBCA1CA2
SCHEMBL13565011 0.73 CA1 (0.53) MEN1KMT2ACA1CA2CA12
SCHEMBL13565898 0.72 KDM4E (0.48) MEN1KMT2ACA1CA2CA12
SCHEMBL10115062 0.71 ALDH1A1 (0.39) CA1CA2CA12CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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 (3 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2486/4885KMT2A 2321/4885MAOB 424/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 1233/4885KMT2A 2517/4885MAOB 219/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2254/4885KMT2A 2200/4885MAOB 358/4885

“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.