SCHEMBL5018093

SCHEMBL5018093

NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.53
NOTUM Q6P988 7/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
EDNRB P24530 1/20 0.42
TP53 P04637 2/20 0.42
TLR8 Q9NR97 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 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
SCHEMBL784140 0.76 CA1 (0.51) CA1CA2CA9CA12KDM4E
SCHEMBL2565634 0.75 CA2 (0.50) CA1CA2CA9CA12KDM4E
SCHEMBL10547969 0.72 CA1 (0.57) EDNRANOTUMCA1CA2CA9
SCHEMBL17694561 0.70 NOTUM (0.78) NOTUMTP53TLR8MAPTKDM4E
Hydrochloric Acid SCHEMBL29970039 0.68 CA2 (0.53) CA1CA2CA9CA12TP53
SCHEMBL2610163 0.68 NOTUM (0.75) NOTUMTP53TLR8MAPTKDM4E
SCHEMBL29718566 0.66 CA2 (0.47) CA1CA2CA9CA12KDM4E
SCHEMBL12474849 0.66 CA1 (0.47) CA1CA2CA9HPGDNPC1
SCHEMBL28216449 0.66 CA2 (0.47) CA1CA2CA9CA12HPGD
SCHEMBL28975848 0.65 NOTUM (0.56) NOTUMTLR8KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120177705-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120177705-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-8168221-B2 Composition 064 ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8168221-B2 Composition 064 ASTRAZENECA AB (SE) 2012-05-01 US disclosed
EP-2433620-A1 Zibotentan Composition AstraZeneca AB (SE) 2012-03-28 EP disclosed
US-20090099203-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099203-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2009047565-A2 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 WO 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 (2 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-20090099203-A1 COMPOSITION 064 MGAM, MAST4, MANBA EDNRA 2957/4885NOTUM 1232/4885CA1 2352/4885
US-20120177705-A1 COMPOSITION 064 MGAM, MAST4, MANBA EDNRA 2957/4885NOTUM 1232/4885CA1 2352/4885

“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.