SCHEMBL10114912

SCHEMBL10114912

Cc1ccc(-c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GRIA2 P42262 3/20 0.46
PTPN1 P18031 2/20 0.46
NAMPT P43490 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL14424198 1.00 MEN1 (0.55) MEN1KMT2AGRIA2PTPN1NAMPT
SCHEMBL14424624 0.87 MAPT (0.51) MEN1KMT2AGRIA2PTPN1NAMPT
SCHEMBL10114025 0.87 MAPT (0.51) MEN1KMT2AGRIA2PTPN1NAMPT
SCHEMBL10114826 0.87 MAPT (0.51) MEN1KMT2AGRIA2PTPN1NAMPT
SCHEMBL10114691 0.86 ALDH1A1 (0.55) MEN1KMT2ANAMPTNPSR1LMNA
SCHEMBL13204270 0.86 ALDH1A1 (0.55) MEN1KMT2ANAMPTNPSR1LMNA
SCHEMBL10113924 0.84 NAMPT (0.49) MEN1KMT2AGRIA2NAMPTNPSR1
SCHEMBL14424129 0.84 MAPT (0.48) MEN1KMT2AGRIA2NPC1RAB9A
SCHEMBL12881991 0.84 MAPT (0.48) MEN1KMT2AGRIA2NPC1RAB9A
SCHEMBL10116082 0.84 NPC1 (0.47) KMT2AGRIA2PTPN1NPSR1NPC1

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 9 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-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 MEN1 2876/4885KMT2A 2912/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885GRIA2 358/4885

“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.