SCHEMBL18000220

SCHEMBL18000220

Cc1cc([N+](=O)[O-])c2c(CC(N)C(=O)O)cn(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 2/20 0.46
▸ PTPRA P18433 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ GRIK5 Q16478 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ THPO P40225 1/20 0.36

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
SCHEMBL18029122 1.00 GRIA2 (0.46) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18000330 0.88 GRIA2 (0.43) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18029249 0.88 GRIA2 (0.43) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18000210 0.88 GRIA2 (0.43) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18029330 0.88 GRIA2 (0.43) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18000369 0.87 GRIA2 (0.42) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL19871240 0.87 GRIA2 (0.47) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18000331 0.87 GRIA2 (0.47) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18000145 0.87 GRIA2 (0.42) GRIA2PTPRAGRIA1GRIA4GRIK5
SCHEMBL18029137 0.87 GRIA2 (0.42) GRIA2PTPRAGRIA1GRIA4GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532492-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS University of Florida Research Foundation, Incorporated (US) 2019-09-04 — — EP claimed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 — — WO claimed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 — — WO claimed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 — — US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 — — US disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 — — US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 — — US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 — — WO disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 — — US disclosed
EP-3532492-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS University of Florida Research Foundation, Incorporated (US) 2019-09-04 — — EP disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 — — WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 — — WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 — — 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 GRIA2 3547/4885PTPRA 1775/4885GRIA1 4201/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GRIA2 3547/4885PTPRA 1775/4885GRIA1 4201/4885

“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.

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