SCHEMBL3724643

SCHEMBL3724643

CN(CC(O)c1cccnc1)c1ccc(Cl)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.43
MKNK1 Q9BUB5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB3 P13945 5/20 0.35
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ADRB1 P08588 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3722431 0.85 AOC3 (0.47) MKNK1SMN1; SMN2LMNAALDH1A1
SCHEMBL3706177 0.85 AOC3 (0.47) MKNK1SMN1; SMN2LMNAALDH1A1
SCHEMBL3718740 0.85 AOC3 (0.47) MKNK1SMN1; SMN2LMNAALDH1A1
SCHEMBL3720282 0.76 TSHR (0.42) LMNAL3MBTL1
SCHEMBL6319993 0.75 SMN1; SMN2 (0.50) CYP51A1SMN1; SMN2LMNAL3MBTL1ADRB3
SCHEMBL3719112 0.73 HTT (0.31)
SCHEMBL3708246 0.72 PDE10A (0.31)
SCHEMBL6643536 0.72 SMN1; SMN2 (0.51) CYP51A1MKNK1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6318477 0.72 SMN1; SMN2 (0.51) CYP51A1MKNK1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3703555 0.72 HRH1 (0.30)

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 2 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

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 CYP51A1 244/4885MKNK1 1215/4885SMN1; SMN2 443/4885

“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.