Sugi Predict

Sugi Predict / Compounds / SCHEMBL3353479

SCHEMBL3353479

SCHEMBL3353479

Cc1c(C(N)=O)cc(-c2ncco2)c(C)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.43
▸ TUBB4A P04350 3/20 0.35
▸ TUBB P07437 3/20 0.35
▸ TUBA3C P0DPH7 3/20 0.35
▸ TUBA1B P68363 3/20 0.35
▸ TUBA4A P68366 3/20 0.35
▸ TUBB4B P68371 3/20 0.35
▸ TUBB3 Q13509 3/20 0.35
▸ TUBB2A Q13885 3/20 0.35
▸ TUBB8 Q3ZCM7 3/20 0.35
▸ TUBA3E Q6PEY2 3/20 0.35
▸ TUBA1A Q71U36 3/20 0.35
▸ TUBA1C Q9BQE3 3/20 0.35
▸ TUBB6 Q9BUF5 3/20 0.35
▸ TUBB2B Q9BVA1 3/20 0.35
▸ TUBB1 Q9H4B7 3/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ HCRTR1 O43613 4/20 0.33
▸ HCRTR2 O43614 4/20 0.33
▸ BRD4 O60885 2/20 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
SCHEMBL2725910 0.89 CFTR (0.43) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3347772 0.79 GLRA3 (0.44) CFTRBRD4IL2GLRA3GLRB
SCHEMBL2726268 0.77 CFTR (0.37) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2724737 0.77 CFTR (0.39) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2728047 0.76 CFTR (0.36) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2725908 0.73 TGFBR1 (0.39) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10767952 0.71 GRM5 (0.52) CFTRBRD4GLA
SCHEMBL2726900 0.71 CFTR (0.34) CFTRIRAK4
SCHEMBL2724735 0.70 PARP1 (0.39) CFTRIRAK4BRD4IL2GLRA3
SCHEMBL10320333 0.70 BRD4 (0.46) CFTRBRD4IL2GLRA3GLRB

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 CFTR 3927/4885TUBB4A 1857/4885TUBB 1538/4885

“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.