SCHEMBL10113896

SCHEMBL10113896

CC(C)NC(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HDAC6 Q9UBN7 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1A P08908 1/20 0.46
ROCK2 O75116 1/20 0.45
CYP3A5 P20815 1/20 0.45
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.43
EGFR P00533 1/20 0.43
HDAC4 P56524 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
SCHEMBL10113886 0.89 ALDH1A1 (0.59) MEN1KMT2AALDH1A1HDAC6CYP3A4
SCHEMBL10113630 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1HDAC6CYP3A4
SCHEMBL10113893 0.87 MEN1 (0.68) MEN1KMT2AALDH1A1HDAC6CYP3A4
SCHEMBL10115500 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HDAC6HDAC3
SCHEMBL10115413 0.86 ANO1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL11935774 0.85 NPSR1 (0.45) CYP3A4HTR1AROCK2CYP3A5HDAC11
SCHEMBL10115430 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1HDAC6CYP3A4
SCHEMBL10115388 0.85 HDAC6 (0.45) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL10113718 0.83 HTR1A (0.60) MEN1KMT2AALDH1A1HDAC6HTR1A
SCHEMBL10113766 0.83 EPHX2 (0.54) MEN1KMT2AALDH1A1HDAC6HTR1A

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.