SCHEMBL6156906

SCHEMBL6156906

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.47
AR P10275 2/20 0.46
ALDH1A1 P00352 2/20 0.42
LRRK2 Q5S007 1/20 0.41
IMPDH1 P20839 3/20 0.41
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 3/20 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
SCHEMBL6153700 1.00 IMPDH2 (0.47) IMPDH2ARALDH1A1LRRK2IMPDH1
SCHEMBL6156911 0.79 IMPDH2 (0.45) IMPDH2ARALDH1A1IMPDH1KDM4E
SCHEMBL6153703 0.79 IMPDH2 (0.45) IMPDH2ARALDH1A1IMPDH1KDM4E
SCHEMBL6154412 0.76 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1KDM4EGAA
SCHEMBL6154460 0.76 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1KDM4EGAA
SCHEMBL6154416 0.76 SUV39H2 (0.47) IMPDH2ALDH1A1IMPDH1KDM4EGAA
SCHEMBL6156003 0.74 DRD2 (0.49) IMPDH2ARALDH1A1KDM4EGAA
SCHEMBL6156008 0.74 DRD2 (0.49) IMPDH2ARALDH1A1KDM4EGAA
SCHEMBL6154049 0.73 IMPDH2 (0.41) IMPDH2ARALDH1A1IMPDH1KDM4E
SCHEMBL6154051 0.73 IMPDH2 (0.41) IMPDH2ARALDH1A1IMPDH1KDM4E

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 2157/4885AR 1667/4885ALDH1A1 2454/4885

“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.