Sugi Predict

Sugi Predict / Compounds / SCHEMBL3347772

SCHEMBL3347772

SCHEMBL3347772

Cc1c(C(N)=O)cc(-c2ncco2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.44
▸ GLRB P48167 1/20 0.44
▸ PIK3CB P42338 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CFTR P13569 1/20 0.38
▸ IL2 P60568 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ NNMT P40261 3/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL10320333 0.83 BRD4 (0.46) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL2725908 0.83 TGFBR1 (0.39) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL2724735 0.82 PARP1 (0.39) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL2726265 0.81 TGFBR1 (0.38) GLRA3GLRBPIK3CBCFTRIL2
SCHEMBL2728043 0.80 KDM4B (0.39) GLRA3GLRBPIK3CBIL2KDM4E
SCHEMBL2725910 0.79 CFTR (0.43) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL3353479 0.79 CFTR (0.43) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL3640416 0.78 GLRA3 (0.50) GLRA3GLRBBRD4CFTRHPGDS
SCHEMBL2725903 0.78 PIK3CB (0.36) GLRA3GLRBPIK3CBBRD4CFTR
SCHEMBL2724726 0.77 PARP1 (0.39) GLRA3GLRBPIK3CBBRD4CFTR

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 184/4885PIK3CB 2987/4885

“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.