SCHEMBL3348759

SCHEMBL3348759

C#CCc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PARP1 P09874 6/20 0.41
NPC1 O15118 2/20 0.40
METAP2 P50579 1/20 0.39
GAA P10253 1/20 0.39
BCAT2 O15382 1/20 0.38
RAB9A P51151 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDPK1 O15530 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2A P08913 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL28460662 0.89 MEN1 (0.40) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL27923120 0.88 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL28381204 0.84 BCAT2 (0.57) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL1901533 0.78 KDM4E (0.45) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL28826085 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL28203523 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL10647867 0.77 PARP1 (0.51) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL8580446 0.76 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL28203520 0.75 HMGB1 (0.38) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL10923208 0.74 BCAT2 (0.48) KDM4EALDH1A1HSD17B10MAPTHPGD

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 KDM4E 1983/4885ALDH1A1 524/4885HSD17B10 909/4885
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 KDM4E 4082/4885ALDH1A1 2133/4885HSD17B10 726/4885

“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.