SCHEMBL22777950

SCHEMBL22777950

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc([N+](=O)[O-])ccc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
HTR6 P50406 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TNFSF11 O14788 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRD4 O60885 2/20 0.40
ALK Q9UM73 1/20 0.39
PTGS2 P35354 2/20 0.38

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
SCHEMBL29714399 1.00 PDPK1 (0.49) PDPK1HTR6L3MBTL1CA12CA1
SCHEMBL16698105 0.83 PDPK1 (0.54) PDPK1HTR6L3MBTL1CA12CA1
SCHEMBL1632297 0.78 HTR6 (0.50) HTR6L3MBTL1CA12CA1CA2
SCHEMBL14548931 0.78 HTR6 (0.53) HTR6L3MBTL1TNFSF11ALDH1A1MEN1
SCHEMBL3336476 0.77 HTR6 (0.71) HTR6
SCHEMBL1667229 0.77 CA12 (0.56) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16145470 0.76 BRD4 (0.57) PDPK1HTR6BRD4
SCHEMBL14406219 0.76 HTR6 (0.72) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1630738 0.76 HTR6 (0.47) HTR6CA12CA1CA2CA9
SCHEMBL1630765 0.75 HTR6 (0.44) HTR6L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PDPK1 598/4885HTR6 495/4885L3MBTL1 2330/4885

“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.