Sugi Predict

Sugi Predict / Compounds / SCHEMBL3351899

SCHEMBL3351899

SCHEMBL3351899

Cc1cc(C(N)=O)c(CCO)c(C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ CD38 P28907 1/20 0.36
▸ NNMT P40261 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PARP1 P09874 2/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL3353287 0.79 NNMT (0.40) KDM4ECD38NNMTMAPK8POLB
SCHEMBL5372889 0.79 KDM4E (0.39) KDM4ECD38NNMTMAPK8L3MBTL1
SCHEMBL13504652 0.76 KDM4E (0.37) KDM4ECD38NNMTMAPK8L3MBTL1
SCHEMBL27800518 0.75 SIRT1 (0.47) KDM4ESIRT1PARP1ALDH1A1HSD17B10
SCHEMBL1003868 0.74 KDM4E (0.44) KDM4ECD38NNMTMAPK8L3MBTL1
SCHEMBL29421066 0.74 SIRT1 (0.39) KDM4ENNMTSIRT1PARP1SIRT3
SCHEMBL7109139 0.74 SIRT1 (0.39) KDM4ENNMTSIRT1PARP1SIRT3
SCHEMBL27523667 0.72 KDM4E (0.46) KDM4EDHODHALDH1A1
SCHEMBL3914130 0.72 CD38 (0.44) KDM4ECD38SIRT1L3MBTL1PARP1
SCHEMBL4976602 0.72 MAPK8 (0.39) KDM4ENNMTSIRT1MAPK8PARP1

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 KDM4E 4082/4885CD38 210/4885NNMT 557/4885

“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.