SCHEMBL6154307

SCHEMBL6154307

COc1cc(N[C@H]2CC[C@H](NCc3ccccc3)CC2)ccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
HIF1A Q16665 1/20 0.46
SUV39H2 Q9H5I1 3/20 0.46
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GAA P10253 1/20 0.42
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MCHR1 Q99705 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6154310 1.00 ROCK2 (0.47) ROCK2ROCK1HIF1ASUV39H2KIT
SCHEMBL6153691 0.83 MCHR1 (0.60) ACHEBACE1MCHR1DRD2
SCHEMBL6155083 0.82 DRD4 (0.49) ACHEDRD2
SCHEMBL6155075 0.82 DRD4 (0.49) ACHEDRD2
SCHEMBL6153341 0.81 KIT (0.60) ROCK2ROCK1KITFLT3MEN1
SCHEMBL6153345 0.81 KIT (0.60) ROCK2ROCK1KITFLT3MEN1
SCHEMBL6153579 0.81 KIT (0.60) ROCK2ROCK1KITFLT3MEN1
SCHEMBL6154278 0.81 PARP15 (0.48) ROCK2ROCK1KITFLT3MEN1
SCHEMBL6154256 0.81 PARP15 (0.48) ROCK2ROCK1KITFLT3MEN1
SCHEMBL6140542 0.80 HIF1A (0.66) ROCK2HIF1AMEN1KMT2AALDH1A1

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 ROCK2 2/4885ROCK1 1/4885HIF1A 842/4885

“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.