SCHEMBL4821144

SCHEMBL4821144

CCOC(=O)C(N)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
TDP1 Q9NUW8 2/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CTSK P43235 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL1637215 1.00 MEN1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL22961926 0.96 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL9416400 0.94 MEN1 (0.52) MEN1KMT2AGAATDP1MAOA
SCHEMBL601839 0.89 MEN1 (0.64) MEN1KMT2AGAATDP1MAOA
SCHEMBL601838 0.89 MEN1 (0.64) MEN1KMT2AGAATDP1MAOA
SCHEMBL2855685 0.88 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL131062 0.88 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL2855689 0.88 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL21271788 0.87 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL131061 0.87 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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 (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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA MEN1 2513/4885KMT2A 3700/4885GAA 2235/4885

“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.