SCHEMBL90974

SCHEMBL90974

COc1ccc(-c2c[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
BRD3 Q15059 5/20 0.41
MAPT P10636 4/20 0.39
BRD2 P25440 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3C2G O75747 2/20 0.39
PDE4B Q07343 4/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PI4KA P42356 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
SCHEMBL90946 0.91 KMT2A (0.41) BRD4BRD3MAPTBRD2ALDH1A1
SCHEMBL90867 0.88 RIPK2 (0.37) MAPTLMNAHPGDKDM4EALDH1A1
SCHEMBL90975 0.85 PLK1 (0.40) MAPTLMNAHPGDKDM4EALDH1A1
SCHEMBL90866 0.83 ABL1 (0.36) BRD4KMT2AMEN1
SCHEMBL91029 0.83 GRIA2 (0.35) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL90997 0.83 NPY5R (0.35) BRD4LMNAGAA
SCHEMBL90863 0.81 SMN1; SMN2 (0.39) MAPTLMNAKDM4EALDH1A1L3MBTL1
SCHEMBL90906 0.80 HSD11B1 (0.39)
SCHEMBL69642 0.80 NPY5R (0.39)
SCHEMBL71885 0.79 PIK3CD (0.43) LMNAKDM4EALDH1A1CYP1A2CYP3A4

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 BRD4 482/4885BRD3 747/4885MAPT 3211/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885BRD3 747/4885MAPT 3211/4885

“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.