Sugi Predict

Sugi Predict / Compounds / SCHEMBL3347776

SCHEMBL3347776

SCHEMBL3347776

CNC(=O)c1cc(C(N)=O)cc(-c2ncco2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.48
▸ GLRB P48167 1/20 0.48
▸ MCL1 Q07820 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ PIP5K1C O60331 5/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ CFTR P13569 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL3640416 0.88 GLRA3 (0.50) GLRA3GLRBBRD4CFTRHPGDS
SCHEMBL3353484 0.81 GLRA3 (0.45) GLRA3GLRBBRD4CFTRHPGDS
SCHEMBL24934252 0.79 CDK8 (0.49) GLRA3GLRBTYK2PIP5K1CPIK3CA
SCHEMBL3508887 0.75 MAPK1 (0.41) GLRA3GLRBADORA2AADORA2B
SCHEMBL3347772 0.75 GLRA3 (0.44) GLRA3GLRBBRD4CFTRHPGDS
SCHEMBL475724 0.75 GLRA3 (0.77) GLRA3GLRBBRD4CFTRHPGDS
SCHEMBL6573037 0.74 PRKCI (0.50) GLRA3GLRBHPGDS
SCHEMBL5789925 0.72 MKNK2 (0.51) HPGDSHDAC4MKNK1MKNK2MAP4K4
SCHEMBL3350405 0.72 CHEK2 (0.47) BRD4HDAC4HDAC8HDAC6
SCHEMBL20256885 0.71 GLRA3 (0.49) GLRA3GLRBBRD4HPGDSHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP GLRA3 502/4885GLRB 184/4885MCL1 3645/4885

“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.