SCHEMBL925299

SCHEMBL925299

O=C(O)c1ccc(=O)n(C2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCAR3 P49019 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CFTR P13569 1/20 0.38
KMO O15229 1/20 0.37
LDHA P00338 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 2/20 0.35
ESR1 P03372 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL21383995 0.93 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25078198 0.86 CFTR (0.44) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25078531 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25078103 0.82 BACE1 (0.38)
SCHEMBL21383986 0.82 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25078142 0.81 ALDH1A1 (0.47) SMN1; SMN2KDM4EKMT2ATDP1ALDH1A1
SCHEMBL925233 0.80 MMP9 (0.43) KMT2ATDP1ALDH1A1CNR1CNR2
SCHEMBL25078528 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25078342 0.76 GPR119 (0.48) KDM4EKMT2A
SCHEMBL2323117 0.75 HCAR3 (0.42) SMN1; SMN2KDM4EGLAHTTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP SMN1; SMN2 1434/4885KDM4E 1391/4885GLA 22/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SMN1; SMN2 1434/4885KDM4E 1391/4885GLA 22/4885

“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.