SCHEMBL18029352

SCHEMBL18029352

Cn1cc(CC(N)C(=O)O)c2c([N+](=O)[O-])c(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ PTPRA P18433 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ USP2 O75604 3/20 0.39
▸ RECQL P46063 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RGS12 O14924 1/20 0.39

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
SCHEMBL18000431 1.00 NQO2 (0.44) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18000102 0.88 NQO2 (0.44) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18029013 0.88 NQO2 (0.44) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18029138 0.88 NQO2 (0.44) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18000414 0.88 NQO2 (0.44) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18029203 0.87 NQO2 (0.43) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18029134 0.87 NQO2 (0.43) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18000280 0.87 NQO2 (0.43) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18000300 0.87 NQO2 (0.43) NQO2MTNR1AMTNR1BPTPRACYP2C19
SCHEMBL18000383 0.86 NQO2 (0.61) NQO2MTNR1AMTNR1BPTPRACYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 — — US disclosed
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-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-11879144-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-01-23 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 — — US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 — — US disclosed
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 — — 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
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 — — US disclosed
US-10138205-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-11-27 — — US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 — — WO disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 — — US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 — — US 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 (5 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-10138205-B2 Artificial self-sufficient cytochrome P450s CYP4F2, POR, CYP4F3 NQO2 126/4885MTNR1A 2049/4885MTNR1B 2814/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 NQO2 126/4885MTNR1A 2049/4885MTNR1B 2814/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 NQO2 150/4885MTNR1A 3563/4885MTNR1B 4196/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR NQO2 136/4885MTNR1A 2068/4885MTNR1B 2862/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR NQO2 136/4885MTNR1A 2068/4885MTNR1B 2862/4885

“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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