SCHEMBL26415573

SCHEMBL26415573

CC1(C)CC(NC(=O)CP)CC(C)(C)N1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.43
MAOB P27338 2/20 0.36
MAPK8 P45983 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL12352252 0.87 GAA (0.50) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL4900433 0.84 GAA (0.48) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL12568166 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL2302254 0.82 GAA (0.50) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL316348 0.82 SMN1; SMN2 (0.48) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL1933229 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL1463814 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL4889822 0.81 GAA (0.46) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL23783503 0.79 GAA (0.44) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL20467895 0.79 GAA (0.44) GAAKDM4EKMT2AMAOBMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127371-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-04-27 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-20230127371-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TNNI3, TNNT2, REN GAA 2828/4885KDM4E 3219/4885KMT2A 4355/4885

“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.