SCHEMBL90977

SCHEMBL90977

COc1ccccc1-c1cc([C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 4/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TACR3 P29371 1/20 0.40
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.38
BRD3 Q15059 1/20 0.38
MITF O75030 1/20 0.38
STAT3 P40763 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL91033 0.85 MKNK1 (0.42) MEN1KMT2AHPGDHTTKDM4E
SCHEMBL90871 0.85 KMT2A (0.44) MEN1KMT2AHPGDHTTKDM4E
SCHEMBL8576803 0.82 SCN9A (0.38) MEN1KMT2AHPGDHTTKDM4E
SCHEMBL90870 0.82 DRD4 (0.48) MEN1KMT2AHTTLMNAGAA
SCHEMBL91005 0.81 MEN1 (0.61) MEN1KMT2AHPGDHTTKDM4E
SCHEMBL90872 0.80 PLK1 (0.48) MEN1KMT2AHPGDHTTKDM4E
SCHEMBL91023 0.78 MKNK1 (0.57) MEN1KMT2AHTTIGF1R
SCHEMBL90845 0.77 HCAR2 (0.42)
SCHEMBL90983 0.77 DRD2 (0.50) MEN1KMT2AALDH1A1CYP3A4IGF1R
SCHEMBL91004 0.76 DRD4 (0.57) MEN1KMT2AHTTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885HPGD 3049/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885HPGD 3049/4885

“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.