SCHEMBL11935939

SCHEMBL11935939

CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc3ocnc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.48
KMT2A Q03164 6/20 0.40
GAA P10253 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
GFER P55789 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL13565308 0.84 TRPM5 (0.48) TRPM5KMT2AGAAALDH1A1MEN1
SCHEMBL10116286 0.78 RAB9A (0.50) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL13565011 0.78 CA1 (0.53) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL11936084 0.77 TRPM5 (0.53) TRPM5KMT2AGAAALDH1A1MEN1
SCHEMBL13565284 0.77 TRPM5 (0.43) TRPM5KMT2AGAAALDH1A1MEN1
SCHEMBL13565015 0.77 SMN1; SMN2 (0.48) TRPM5KMT2AGAAALDH1A1MEN1
SCHEMBL13565688 0.74 MEN1 (0.57) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL11935292 0.74 ALDH1A1 (0.47) TRPM5KMT2AGAAALDH1A1MEN1
SCHEMBL13565538 0.74 GRIN1 (0.48) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL13565221 0.74 MAPT (0.45) KMT2AALDH1A1MEN1MAPTCA1

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 TRPM5 279/4885KMT2A 2321/4885GAA 2722/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TRPM5 240/4885KMT2A 2517/4885GAA 4105/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R TRPM5 316/4885KMT2A 2200/4885GAA 2277/4885

“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.