SCHEMBL11936077

SCHEMBL11936077

CCc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc2ccc(=O)oc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRPF1 P55201 1/20 0.41
MAOB P27338 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
PKM P14618 3/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PPARA Q07869 1/20 0.33
CA9 Q16790 1/20 0.33

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 0.87 MEN1 (0.40) MEN1KMT2ABRPF1MAOBBRD4
SCHEMBL11935916 0.85 MEN1 (0.45) MEN1KMT2AMAOBBRD4DRD2
SCHEMBL13566024 0.82 MEN1 (0.57) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL10116546 0.81 KDM4E (0.41) MEN1KMT2ABRPF1KDM4EALDH1A1
SCHEMBL13439400 0.81 MAOB (0.43) MEN1KMT2AMAOBDRD2DRD4
SCHEMBL13565932 0.77 NPY5R (0.41) MEN1KMT2ABRPF1KDM4EALDH1A1
SCHEMBL11935918 0.75 MEN1 (0.39) MEN1KMT2AMAOBBRD4KDM4E
SCHEMBL13565235 0.75 HPGD (0.54) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL13565952 0.72 PPARA (0.41) MEN1KMT2ABRD4ALDH1A1PPARA
SCHEMBL11936106 0.71 PPARA (0.43) BRPF1BRD4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
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
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MEN1 1550/4885KMT2A 2031/4885BRPF1 2373/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2486/4885KMT2A 2321/4885BRPF1 2418/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 1233/4885KMT2A 2517/4885BRPF1 1604/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2254/4885KMT2A 2200/4885BRPF1 2592/4885

“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.