SCHEMBL18000375

SCHEMBL18000375

Cc1c(CC(N)C(=O)O)c2c([N+](=O)[O-])c(N)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ NQO2 P16083 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PTPRA P18433 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ GRIA1 P42261 3/20 0.34
▸ GRIA3 P42263 3/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ GRIK3 Q13003 1/20 0.34
▸ GRIK4 Q16099 1/20 0.34
▸ GRIK5 Q16478 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
SCHEMBL18029173 1.00 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18029289 0.90 ALDH1A1 (0.42) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18000274 0.90 ALDH1A1 (0.42) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18000443 0.89 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL19871275 0.89 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18029319 0.88 ALDH1A1 (0.40) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL19871270 0.88 ALDH1A1 (0.40) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18000184 0.88 ALDH1A1 (0.40) ALDH1A1NQO2MTNR1AMTNR1BPTPRA
SCHEMBL18000209 0.88 ALDH1A1 (0.40) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL18029107 0.87 ALDH1A1 (0.57) ALDH1A1NQO2MTNR1AMTNR1BMAPT

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 ALDH1A1 1592/4885NQO2 150/4885MTNR1A 3563/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 ALDH1A1 1592/4885NQO2 150/4885MTNR1A 3563/4885

“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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