SCHEMBL6154051

SCHEMBL6154051

COc1cc(N[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.41
ALDH1A1 P00352 4/20 0.39
IMPDH1 P20839 2/20 0.38
NSD2 O96028 1/20 0.37
DPP4 P27487 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
AR P10275 4/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MELK Q14680 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6154049 1.00 IMPDH2 (0.41) IMPDH2ALDH1A1IMPDH1NSD2DPP4
SCHEMBL6156911 0.86 IMPDH2 (0.45) IMPDH2ALDH1A1IMPDH1DPP4AR
SCHEMBL6153703 0.86 IMPDH2 (0.45) IMPDH2ALDH1A1IMPDH1DPP4AR
SCHEMBL6153884 0.84 MELK (0.38) ALDH1A1NSD2SUV39H2ARMAPT
SCHEMBL6153885 0.84 MELK (0.38) ALDH1A1NSD2SUV39H2ARMAPT
SCHEMBL6154412 0.83 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1SUV39H2MAPT
SCHEMBL6154416 0.83 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1SUV39H2MAPT
SCHEMBL6154460 0.83 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1SUV39H2MAPT
SCHEMBL6156906 0.73 IMPDH2 (0.47) IMPDH2ALDH1A1IMPDH1ARMAPT
SCHEMBL6153700 0.73 IMPDH2 (0.47) IMPDH2ALDH1A1IMPDH1ARMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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 (1 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 IMPDH2 2157/4885ALDH1A1 2454/4885IMPDH1 1884/4885

“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.