SCHEMBL22778012

SCHEMBL22778012

O=CCc1cc([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
PTPRA P18433 1/20 0.40
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
DAO P14920 1/20 0.36
CYP3A4 P08684 1/20 0.36
NAMPT P43490 1/20 0.36
XDH P47989 1/20 0.36
MAPT P10636 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
PARP1 P09874 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
SCHEMBL29714409 1.00 PKM (0.44) PKMPKLRPTPRACYP2C19POLB
SCHEMBL8650420 0.83 POLB (0.50) PKMPKLRPTPRACYP2C19POLB
SCHEMBL22777962 0.79 PKM (0.47) PKMPKLRPTPRACYP2C19POLB
SCHEMBL4722268 0.79 PKM (0.64) PKMPKLRPTPRACYP2C19POLB
SCHEMBL22777948 0.76 PKM (0.44) PKMPKLRPTPRACYP2C19POLB
SCHEMBL22777992 0.76 HTR2A (0.45) PKMPKLRPTPRA
SCHEMBL29714424 0.76 PKM (0.44) PKMPKLRPTPRACYP2C19POLB
SCHEMBL22803797 0.75 HTR2A (0.37) CYP2C19POLBKMT2ACYP3A4
SCHEMBL8487610 0.74 TDP1 (0.50) PKMPKLRPOLBMEN1KMT2A
SCHEMBL12359788 0.73 ALDH1A1 (0.46) PKMPKLRMEN1KMT2AGAA

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 3873/4885PTPRA 2993/4885

“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.