SCHEMBL11935945

SCHEMBL11935945

Cc1ccc(-c2ccc(NCc3ccc(N)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 2/20 0.61
THRB P10828 2/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 2/20 0.61
CASP1 P29466 2/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
ALOX15 P16050 1/20 0.61
BLM P54132 1/20 0.61
PLEC Q15149 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTT P42858 2/20 0.59
RAB9A P51151 3/20 0.57

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
SCHEMBL11935858 0.94 MAPT (0.67) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27305389 0.94 MAPT (0.67) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14071631 0.91 FFAR1 (0.51) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL24690513 0.89 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10055032 0.84 MAPT (0.80) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5154356 0.84 MEN1 (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL455536 0.84 MEN1 (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3422016 0.84 MEN1 (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2005375 0.84 MAPT (0.80) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11512045 0.84 HTT (0.79) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885MEN1 2254/4885KMT2A 2200/4885

“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.