SCHEMBL4481659

SCHEMBL4481659

COC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 3/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 2/20 0.71
MEN1 O00255 1/20 0.71
GLA P06280 1/20 0.71
RCE1 Q9Y256 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.57
BACE1 P56817 5/20 0.53
CTSD P07339 1/20 0.53
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR2 P34972 1/20 0.46

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
SCHEMBL8269514 0.92 KDM4E (0.63) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL4476506 0.92 KDM4E (0.63) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL4472383 0.91 KDM4E (0.61) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL4480118 0.91 KDM4E (0.61) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL8269545 0.88 BACE1 (0.63) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL8269544 0.88 KDM4E (0.59) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL8269546 0.87 BACE1 (0.61) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL4479535 0.87 KDM4E (0.57) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL8269532 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL8647999 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10KMT2AGAA

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 1462/4885ALDH1A1 360/4885HSD17B10 933/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 1462/4885ALDH1A1 360/4885HSD17B10 933/4885

“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.