SCHEMBL22777919

SCHEMBL22777919

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.67
CYP2C19 P33261 1/20 0.64
PKM P14618 1/20 0.63
PKLR P30613 1/20 0.63
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NQO2 P16083 1/20 0.49
CDK2 P24941 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
AMY1A P0DUB6 1/20 0.47

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
SCHEMBL18189675 0.89 TSHR (0.62) PTPRACYP2C19PKMPKLRCYP1A2
SCHEMBL28960198 0.85 PKM (0.56) PTPRACYP2C19PKMPKLRCYP1A2
SCHEMBL22777978 0.84 PTPRA (0.58) PTPRACYP2C19PKMPKLRALDH1A1
SCHEMBL10265469 0.82 PKM (0.69) PTPRACYP2C19PKMPKLRALDH1A1
SCHEMBL4723914 0.82 PKM (0.61) PTPRACYP2C19PKMPKLRCYP1A2
SCHEMBL4721788 0.81 PKM (0.72) PTPRACYP2C19PKMPKLRTSHR
SCHEMBL9901135 0.81 PKM (0.68) PTPRACYP2C19PKMPKLRALDH1A1
SCHEMBL145392 0.80 PTPRA (1.00) PTPRACYP2C19PKMPKLRALDH1A1
SCHEMBL30381729 0.80 PTPRA (1.00) PTPRACYP2C19PKMPKLRALDH1A1
SCHEMBL2032981 0.80 NQO2 (0.65) PTPRACYP2C19PKMPKLRNQO2

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 2993/4885CYP2C19 4845/4885PKM 3487/4885

“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.