SCHEMBL11935902

SCHEMBL11935902

Nc1ccc(CNc2ccc(S)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
AGER Q15109 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL3422016 0.89 MEN1 (0.50) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL455536 0.89 MEN1 (0.50) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL5154356 0.89 MEN1 (0.50) MAOAMAOBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2985269 0.87 MAOA (0.48) MAOAMAOBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4949253 0.87 MAOA (0.48) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL13971150 0.83 ALDH1A1 (0.61) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL14071631 0.83 FFAR1 (0.51) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL11936055 0.80 LMNA (0.53) MAOBMAPTGAAL3MBTL1ALOX15
SCHEMBL11935856 0.80 GAA (0.67) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL15996872 0.80 LMNA (0.53) MAOBMAPTGAAL3MBTL1ALOX15

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 7 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-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-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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MAOA 324/4885MAOB 274/4885MEN1 1550/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAOA 625/4885MAOB 424/4885MEN1 2486/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAOA 509/4885MAOB 358/4885MEN1 2254/4885

“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.