SCHEMBL22777948

SCHEMBL22777948

COCCc1cc([N+](=O)[O-])cc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
PTPRA P18433 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
HTR2A P28223 1/20 0.35
NQO2 P16083 1/20 0.34
VCAM1 P19320 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL29714424 1.00 PKM (0.44) PKMPKLRMAPTGAAPTPRA
SCHEMBL8650420 0.83 POLB (0.50) PKMPKLRMAPTGAAPTPRA
SCHEMBL22778079 0.82 PKM (0.39) PKMPKLRMAPTGAAPTPRA
SCHEMBL22777974 0.82 PKM (0.39) PKMPKLRMAPTGAAPTPRA
SCHEMBL22777962 0.82 PKM (0.47) PKMPKLRMAPTGAAPTPRA
SCHEMBL22777992 0.81 HTR2A (0.45) PKMPKLRPTPRAHTR2A
SCHEMBL22778012 0.76 PKM (0.44) PKMPKLRMAPTGAAPTPRA
SCHEMBL29714409 0.76 PKM (0.44) PKMPKLRMAPTGAAPTPRA
SCHEMBL22777982 0.76 HTR2A (0.36) MAPTMEN1KMT2APOLBHTR2A
SCHEMBL29714414 0.76 HTR2A (0.36) MAPTMEN1KMT2APOLBHTR2A

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 PKM 3487/4885PKLR 3873/4885MAPT 3076/4885

“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.