SCHEMBL6153885

SCHEMBL6153885

COc1cc(N[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)c(Cl)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.38
NSD2 O96028 2/20 0.36
PGR P06401 6/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
EHMT2 Q96KQ7 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CHEK1 O14757 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6153884 1.00 MELK (0.38) MELKNSD2PGRSUV39H2CYP2D6
SCHEMBL6154049 0.84 IMPDH2 (0.41) MELKNSD2SUV39H2ALDH1A1AR
SCHEMBL6154051 0.84 IMPDH2 (0.41) MELKNSD2SUV39H2ALDH1A1AR
SCHEMBL6153395 0.84 SUV39H2 (0.44) NSD2SUV39H2ALDH1A1KDM4EGAA
SCHEMBL6153396 0.84 SUV39H2 (0.44) NSD2SUV39H2ALDH1A1KDM4EGAA
SCHEMBL6154446 0.84 SUV39H2 (0.44) NSD2SUV39H2ALDH1A1KDM4EGAA
SCHEMBL6155712 0.82 MELK (0.48) MELKPGRALDH1A1ARHTT
SCHEMBL6155718 0.82 MELK (0.48) MELKPGRALDH1A1ARHTT
SCHEMBL22692284 0.76 PGR (0.53) PGRARGPR119
SCHEMBL6153762 0.76 CDK7 (0.41) MELKPGRALDH1A1ARKDM4E

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 MELK 2442/4885NSD2 2185/4885PGR 1690/4885

“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.