SCHEMBL91042

SCHEMBL91042

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(Cl)c3)n[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.43
GRIA2 P42262 9/20 0.42
IDH1 O75874 1/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM5A P29375 1/20 0.37
HSD11B1 P28845 1/20 0.37
PIM1 P11309 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
GPR142 Q7Z601 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
SCHEMBL90969 0.87 GRIA2 (0.47) GRIA2CYP1A2PIM1
SCHEMBL90859 0.87 USP30 (0.45) ULK1GRIA2CYP1A2HSD11B1
SCHEMBL90838 0.87 ULK1 (0.40) ULK1IDH1HSD11B1PIM1PDE4B
SCHEMBL91036 0.82 GRIA2 (0.47) GRIA2CYP1A2
SCHEMBL91038 0.81 GRIA2 (0.47) GRIA2CYP1A2
SCHEMBL91040 0.80 MAPK11 (0.44) GRIA2CYP1A2PIM1
SCHEMBL90929 0.77 ATM (0.53) GRIA2CYP1A2
SCHEMBL10070543 0.76 GABRA1 (0.45) ULK1
SCHEMBL91041 0.75 SCN9A (0.33) ULK1HSD11B1
Hydrochloric Acid SCHEMBL31583248 0.75 GABRA1 (0.44) ULK1

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 ULK1 4354/4885GRIA2 634/4885IDH1 3141/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ULK1 4354/4885GRIA2 634/4885IDH1 3141/4885

“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.