SCHEMBL3700951

SCHEMBL3700951

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
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
SCHEMBL3700949 0.74 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AL3MBTL1HPGD
Hydrochloric Acid SCHEMBL1439776 0.73 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2
SCHEMBL17048911 0.69 THRB (0.31)
SCHEMBL19603813 0.65
SCHEMBL6840355 0.64
SCHEMBL23053339 0.63 HSD17B10 (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2
SCHEMBL3703592 0.63 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2
SCHEMBL5164396 0.63 ACHE (0.42) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
Hydrochloric Acid SCHEMBL8682189 0.63 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2
SCHEMBL634302 0.63 POLB (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1ESR2

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-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

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 SMN1; SMN2 199/4885MEN1 421/4885KMT2A 4647/4885

“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.