SCHEMBL3745628

SCHEMBL3745628

CC(=O)N1Cc2ccc(Cl)nc2OC(c2cccnc2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 3/20 0.35
NAMPT P43490 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
HSD11B1 P28845 1/20 0.35
LDHA P00338 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP2A6 P11509 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL3746487 0.88 NOTUM (0.39) KDM4EALDH1A1HPGDLTA4H
SCHEMBL3746483 0.88 NOTUM (0.39) KDM4EALDH1A1HPGDLTA4H
SCHEMBL3745931 0.84 CYP2A6 (0.36) ALDH1A1RAB9ACYP2A6
SCHEMBL3750856 0.79 ABHD6 (0.36) ALDH1A1HPGDRAB9A
SCHEMBL3739735 0.77 KIF11 (0.42)
SCHEMBL3739739 0.77 KIF11 (0.42)
SCHEMBL3749807 0.74 RORC (0.42) NAMPT
SCHEMBL3751168 0.72 CYP2A6 (0.36) RAB9ACYP3A4LDHACYP2A6
SCHEMBL3706185 0.70 SLC6A2 (0.40)
SCHEMBL3753480 0.70 SLC6A2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 KDM4E 4470/4885ALDH1A1 2384/4885HPGD 2241/4885

“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.