SCHEMBL3700949

SCHEMBL3700949

Cc1csc(C(O)C[N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
FDPS P14324 1/20 0.33
GAA P10253 2/20 0.33
NOS1 P29475 1/20 0.32

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
SCHEMBL3700951 0.74 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3706833 0.71 KDM4E (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL19524987 0.70
SCHEMBL24333588 0.70 ESR2 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2
SCHEMBL19603813 0.69
SCHEMBL15150621 0.69
SCHEMBL634117 0.69
SCHEMBL17048909 0.69 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20292640 0.69 CACNA2D1 (0.44) ALDH1A1SMN1; SMN2KMT2AL3MBTL1ESR2
SCHEMBL23053339 0.67 HSD17B10 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1

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
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
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 ALDH1A1 2363/4885SMN1; SMN2 199/4885MEN1 421/4885

“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.