SCHEMBL4494789

SCHEMBL4494789

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 8/20 0.69
HSD17B10 Q99714 8/20 0.69
HPGD P15428 5/20 0.69
BACE1 P56817 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
CTSD P07339 1/20 0.61
APEX1 P27695 4/20 0.53
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 2/20 0.50
RCE1 Q9Y256 1/20 0.50
RECQL P46063 1/20 0.50
CASP6 P55212 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL8269516 0.89 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL5503526 0.87 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL8269506 0.86 BACE1 (0.60) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4483861 0.85 BACE1 (0.61) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4452759 0.82 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4491252 0.82 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4479538 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL8269547 0.81 BACE1 (0.64) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4479221 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL22769616 0.80 BACE1 (0.54) KDM4EALDH1A1HSD17B10HPGDBACE1

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.