SCHEMBL3553036

SCHEMBL3553036

COc1ccc(CN2CCNC(C)(C)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CMA1 P23946 1/20 0.49
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRM1 P35372 3/20 0.46
OPRL1 P41146 3/20 0.46
SIGMAR1 Q99720 1/20 0.45
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
GRM2 Q14416 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL4003120 0.78 GAA (0.66) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL23794645 0.78 GAA (0.55) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18821250 0.78 GAA (0.55) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18819768 0.78 GAA (0.55) GAAMEN1ALDH1A1KMT2AMAPT
Iodide SCHEMBL23794592 0.77 GAA (0.53) GAAMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL2333630 0.77 GAA (0.53) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18096182 0.77 CACNA1G (0.42) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18096009 0.77 NPBWR1 (0.43) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18821110 0.76 GAA (0.52) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL20133629 0.76 GAA (0.49) GAAMEN1KMT2AMAPTCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 GAA 1461/4885MEN1 4186/4885ALDH1A1 2027/4885

“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.