SCHEMBL3348765

SCHEMBL3348765

C#CCNC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPK14 Q16539 1/20 0.48
PARP1 P09874 6/20 0.47
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
ALOX15 P16050 1/20 0.47
NAMPT P43490 1/20 0.45
FURIN P09958 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 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
SCHEMBL31116810 0.84 KDM4E (0.54) CA12CA1CA2CA9CA14
SCHEMBL28856783 0.83 CA2 (0.68) CA12CA1CA2CA9CA14
SCHEMBL4820100 0.82 GRM5 (0.58) CA12CA1CA2CA9CA14
SCHEMBL28527018 0.82 HDAC8 (0.59) CA12CA1CA2CA9CA14
SCHEMBL29650963 0.82 HDAC8 (0.59) CA12CA1CA2CA9CA14
SCHEMBL45720 0.81 SMN1; SMN2 (0.57) GAAKMT2AHSD17B10SMN1; SMN2MAPK14
SCHEMBL5348366 0.81 KMT2A (0.47) CA12CA1CA2CA9CA14
SCHEMBL31607772 0.81 L3MBTL1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL27136913 0.81 L3MBTL1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL4813469 0.81 HDAC1 (0.57) CA12CA1CA2CA9CA14

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-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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 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 (2 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CA12 1162/4885CA1 396/4885CA2 1969/4885
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 CA12 4160/4885CA1 582/4885CA2 3320/4885

“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.