SCHEMBL18029005

SCHEMBL18029005

N[C@@H](Cc1c[nH]c2ccc(-c3ccncc3)cc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
BLM P54132 3/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
TSHR P16473 2/20 0.65
PMP22 Q01453 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
SLC6A4 P31645 1/20 0.65
HTR7 P34969 1/20 0.65
HTR2B P41595 1/20 0.65
MTOR P42345 1/20 0.65

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
SCHEMBL18029201 1.00 KMT2A (0.65) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL19871239 0.90 SCN9A (0.59) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL18029108 0.90 SCN9A (0.59) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL19871233 0.89 KMT2A (0.71) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL18029018 0.89 KMT2A (0.71) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL869891 0.86 KMT2A (0.67) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL31370079 0.86 KMT2A (0.60) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL23226256 0.84 SCN9A (0.47) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL9284559 0.83 SCN9A (0.52) KMT2ABLMKDM4ELMNAMAPT
SCHEMBL31370163 0.82 KMT2A (0.62) KMT2ABLMKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-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-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
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-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 (6 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 KMT2A 3004/4885BLM 2609/4885KDM4E 2974/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 KMT2A 2741/4885BLM 1751/4885KDM4E 3127/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KMT2A 3004/4885BLM 2609/4885KDM4E 2974/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KMT2A 3415/4885BLM 4431/4885KDM4E 3586/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR KMT2A 2869/4885BLM 1642/4885KDM4E 3326/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR KMT2A 2869/4885BLM 1642/4885KDM4E 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.