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SCHEMBL10114643

SCHEMBL10114643

CC(C)CN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTPRC P08575 3/20 0.43
▸ PTPN13 Q12923 1/20 0.43
▸ TERT O14746 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
SCHEMBL10115397 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10114639 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL10115330 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10114626 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL10115302 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL13439077 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL10115404 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL17090239 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL10114830 0.82 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL10113785 0.82 PTPRC (0.61) ALDH1A1KMT2AMEN1RAB9ANPC1

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 11 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-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-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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALDH1A1 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885MEN1 2926/4885

“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.