SCHEMBL9186

SCHEMBL9186

NC(=O)CCCC1CCCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
TARDBP Q13148 1/20 0.35
NAMPT P43490 3/20 0.34
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALOX5 P09917 3/20 0.32
PDE8B O95263 1/20 0.32
EPHX1 P07099 1/20 0.32
FEN1 P39748 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL25434640 0.95 KMT2A (0.41) KMT2ATARDBPNAMPTNAAAALDH1A1
SCHEMBL10285 0.91 KMT2A (0.36) KMT2ATARDBPNAMPTNAAAPSEN1
SCHEMBL28992184 0.85 KDM5A (0.41) KMT2ATARDBPNAMPTALDH1A1ALOX5
SCHEMBL30701348 0.84 KMT2A (0.41) KMT2ATARDBPNAMPTNAAATLR7
SCHEMBL26698263 0.81 KMT2A (0.33) KMT2ATARDBPNAMPTPSEN1PSEN2
SCHEMBL14689816 0.81 ALOX5 (0.34) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL14689835 0.81 ALOX5 (0.34) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL3651504 0.81 ALOX5 (0.34) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL3043680 0.81 ALDH1A1 (0.34) KMT2ANAMPTNAAAALDH1A1FEN1
SCHEMBL2400531 0.80 KDM5A (0.46) KMT2ATARDBPNAAAALDH1A1ALOX5

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP KMT2A 1441/4885TARDBP 755/4885NAMPT 2990/4885

“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.