SCHEMBL13615452

SCHEMBL13615452

Nc1ccc2c(c1)CC/C2=N/O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 10/20 0.43
MAPK3 P27361 8/20 0.43
MAPK1 P28482 8/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL4344365 1.00 HTT (0.62) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL4344367 1.00 HTT (0.62) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL2060831 0.89 HPGD (0.53) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL29508895 0.89 HPGD (0.53) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL2060830 0.89 HPGD (0.53) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL9669642 0.85 HTT (0.49) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL9669635 0.85 HTT (0.49) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL6658043 0.79 CASP1 (0.71) HTTHSD17B10CASP1CASP7LMNA
SCHEMBL17988347 0.78 HTT (0.70) HTTHSD17B10LMNAHPGDL3MBTL1
SCHEMBL21098775 0.78 CASP1 (0.50) HTTHSD17B10CASP1CASP7LMNA

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-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 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-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 HTT 453/4885HSD17B10 1640/4885CASP1 773/4885

“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.