SCHEMBL10116404

SCHEMBL10116404

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.39
MLYCD O95822 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.38
NAMPT P43490 1/20 0.37
GHSR Q92847 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10116402 0.85 LMNA (0.43) ACLYALDH1A1HPGDLMNAKDM4E
SCHEMBL10116713 0.85 ALDH1A1 (0.43) ACLYALDH1A1HPGDLMNAKDM4E
SCHEMBL10114588 0.85 LMNA (0.53) ACLYALDH1A1LMNAKDM4EMEN1
SCHEMBL10116350 0.85 ACLY (0.47) ACLYALDH1A1HPGDLMNAKDM4E
SCHEMBL17090458 0.83 GHSR (0.40) ACLYALDH1A1LMNACYP2C19NAMPT
SCHEMBL10116323 0.80 HPGD (0.47) ACLYALDH1A1HPGDKDM4EMEN1
SCHEMBL10116283 0.79 ACLY (0.46) ACLYALDH1A1HPGDLMNAKDM4E
SCHEMBL10116414 0.79 MAPT (0.49) ACLYALDH1A1LMNAKDM4EMEN1
SCHEMBL10116346 0.79 ALDH1A1 (0.41) ACLYALDH1A1HPGDLMNAKDM4E
SCHEMBL10114497 0.78 HPGD (0.56) ACLYHPGDLMNAKDM4EMEN1

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 ACLY 3436/4885ALDH1A1 4558/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ACLY 3437/4885ALDH1A1 4599/4885HPGD 3475/4885

“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.