SCHEMBL10116703

SCHEMBL10116703

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALDH1A1 P00352 6/20 0.68
MAPT P10636 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
RAB9A P51151 3/20 0.67
LMNA P02545 5/20 0.66
HTT P42858 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 1/20 0.64
PTBP1 P26599 1/20 0.61
NPC1 O15118 1/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL10116702 0.88 ALDH1A1 (0.74) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL10116393 0.85 RAB9A (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10116513 0.84 RXFP1 (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10134220 0.84 RXFP1 (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27181155 0.82 ALDH1A1 (0.73) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30926556 0.82 ALDH1A1 (0.73) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL26015110 0.82 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10116697 0.81 HTR2B (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17090504 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL14291945 0.80 MEN1 (0.83) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 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-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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R MEN1 2876/4885KMT2A 2912/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885ALDH1A1 4599/4885

“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.