SCHEMBL22777978

SCHEMBL22777978

CNC(=O)Cc1c[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.58
PKM P14618 1/20 0.57
PKLR P30613 1/20 0.57
CYP2C19 P33261 1/20 0.56
NQO2 P16083 1/20 0.51
MAPT P10636 5/20 0.48
GAA P10253 1/20 0.48
CDK2 P24941 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43

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
SCHEMBL22777919 0.84 PTPRA (0.67) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL28171417 0.84 PKM (0.63) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL10265469 0.81 PKM (0.69) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL4723914 0.80 PKM (0.61) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL22778086 0.79 CYP2C19 (0.45) PKMCYP2C19MAPTGAASMN1; SMN2
SCHEMBL28902306 0.78 NPC1 (0.61) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL4233955 0.78 NOX4 (0.49) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL28902308 0.77 PKM (0.61) PTPRAPKMPKLRCYP2C19NQO2
SCHEMBL29714390 0.77 MAPT (0.50) PTPRAPKMPKLRCYP2C19MAPT
SCHEMBL2845400 0.77 MAPT (0.50) PTPRAPKMPKLRCYP2C19MAPT

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 PTPRA 2993/4885PKM 3487/4885PKLR 3873/4885

“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.