SCHEMBL18000271

SCHEMBL18000271

Cc1[nH]c2cc(N3CCOCC3)cc([N+](=O)[O-])c2c1CC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 9/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL18509956 1.00 MAPT (0.41) MAPTPKMKDM4EL3MBTL1ALDH1A1
SCHEMBL19872663 0.88 MAPT (0.39) MAPTPKMKDM4EL3MBTL1ALDH1A1
SCHEMBL20120034 0.85 GRIK1 (0.38) MAPTKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL29312400 0.82 GRIK1 (0.36) MAPTKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL18000151 0.82 MAPT (0.41) MAPTPKMKDM4EL3MBTL1ALDH1A1
SCHEMBL18509763 0.82 MAPT (0.41) MAPTPKMKDM4EL3MBTL1ALDH1A1
SCHEMBL19871250 0.81 MAPT (0.46) MAPTKDM4EALDH1A1MAPK1CYP2C9
SCHEMBL18000447 0.81 MAPT (0.46) MAPTKDM4EALDH1A1MAPK1CYP2C9
SCHEMBL18509684 0.80 PTPRA (0.47) MAPTPKMKDM4EALDH1A1MAPK1
SCHEMBL18000117 0.80 PTPRA (0.47) MAPTPKMKDM4EALDH1A1MAPK1

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 22 patents — showing the first 20. 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-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO claimed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 WO claimed
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-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-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
EP-3532492-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS University of Florida Research Foundation, Incorporated (US) 2019-09-04 EP 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
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 (4 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 MAPT 4241/4885PKM 3441/4885KDM4E 3127/4885
US-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 MAPT 3914/4885PKM 3840/4885KDM4E 2974/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 MAPT 4241/4885PKM 3441/4885KDM4E 3127/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR MAPT 4297/4885PKM 3524/4885KDM4E 3326/4885

“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.