SCHEMBL10134047

SCHEMBL10134047

O=CNc1ccc(-n2ncnn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.35
PDPK1 O15530 1/20 0.33
BRS3 P32247 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL13104792 0.76 BRS3 (0.35) ALDH1A1PDPK1BRS3
SCHEMBL22478364 0.72 LMNA (0.45) ALDH1A1LMNA
SCHEMBL469386 0.71 ALDH1A1 (0.72) ALDH1A1LMNALIMK1
SCHEMBL5799509 0.69 TSHR (0.37) ALDH1A1
SCHEMBL1186753 0.69 BRS3 (0.38) ALDH1A1LMNAPDPK1BRS3
SCHEMBL7463145 0.69 BRS3 (0.35) PDPK1BRS3
SCHEMBL9440546 0.69 NOTUM (0.45) ALDH1A1LMNABRS3
SCHEMBL7400517 0.69 CYP2A6 (0.36) LMNAPDPK1BRS3
SCHEMBL2211763 0.68 KDM4E (0.46) ALDH1A1LMNABRS3
Hydrochloric Acid SCHEMBL4739527 0.67 NOTUM (0.44) ALDH1A1LMNABRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885PDPK1 4529/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885PDPK1 4470/4885

“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.