SCHEMBL3706833

SCHEMBL3706833

CNC[C@H](O)c1nc(C)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HIF1A Q16665 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
ADRB2 P07550 3/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1A P35348 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
TSHR P16473 2/20 0.39
DRD1 P21728 2/20 0.39
ADRA1B P35368 2/20 0.39
DRD3 P35462 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL20292640 0.83 CACNA2D1 (0.44) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3707300 0.79 SMN1; SMN2 (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3705866 0.78 SMN1; SMN2 (0.42) KDM4EHIF1ATDP1MAPTADRB2
SCHEMBL19524987 0.74
SCHEMBL24333588 0.74 ESR2 (0.35) MAPTMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL15150621 0.72
SCHEMBL634117 0.72
SCHEMBL19603813 0.72
SCHEMBL3704421 0.71 HSD17B10 (0.39) KDM4ETDP1MAPTADRA2CADRA1A
SCHEMBL3700949 0.71 ALDH1A1 (0.39) KDM4EMAPTMEN1KMT2AALDH1A1

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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 (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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 KDM4E 4725/4885HIF1A 1543/4885TDP1 1476/4885

“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.