SCHEMBL4482292

SCHEMBL4482292

CC(=O)Oc1ccc2[c]coc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
GLA P06280 4/20 0.49
GAA P10253 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.46
FLT3 P36888 1/20 0.44
CA2 P00918 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL15495628 0.70 KDM4E (0.64) KDM4EGLAGAACA12CA9
SCHEMBL30595409 0.68 CA12 (0.65) KDM4EGLAGAACA12CA9
SCHEMBL3974361 0.68 CA12 (0.65) KDM4EGLAGAACA12CA9
SCHEMBL1258966 0.68 KDM4E (0.64) KDM4EGLAGAACA12CA9
SCHEMBL5502413 0.68 KDM4E (0.59) KDM4EGLAGAACA12CA9
SCHEMBL27563412 0.68 KDM4E (0.49) KDM4EGLAGAACA12CA9
SCHEMBL269329 0.67 LMNA (0.80) KDM4EGLAGAAPOLBALDH1A1
SCHEMBL14541242 0.67 CA12 (0.58) KDM4EGLAGAACA12CA9
SCHEMBL10370627 0.67 CA12 (0.62) KDM4EGLAGAACA12CA9
SCHEMBL28802338 0.67 KDM4E (0.48) KDM4EGLAGAACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP KDM4E 1462/4885GLA 197/4885GAA 37/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 1462/4885GLA 197/4885GAA 37/4885

“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.