SCHEMBL1817582

SCHEMBL1817582

O=C(O)[C@@H]1CNC[C@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42

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
SCHEMBL29352293 1.00 SLC9A1 (0.52) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL1817577 1.00 SLC9A1 (0.52) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL1817579 1.00 SLC9A1 (0.52) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL5775091 0.83 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL7002979 0.83 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL6902353 0.83 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTKDM4EGAA
SCHEMBL1819100 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1819094 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1819097 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL31406306 0.82 SLC9A1 (0.59) SLC9A1ALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2025-04-03 US disclosed
US-20240398842-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2024-12-05 US disclosed
US-12121505-B2 Fap-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-10-22 US disclosed
US-12053450-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-08-06 US disclosed
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-07-02 US disclosed
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 CN disclosed
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-03-12 US disclosed
EP-4299134-A2 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO Bach Biosciences, LLC (US) 2024-01-03 EP disclosed
EP-3154594-B1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2023-07-19 EP disclosed
US-20220296621-A1 FAP-Activated Therapeutic Agents, and Uses Related Thereto BACH BIOSCIENCES, LLC 2022-09-22 US disclosed
CN-101466408-A Polycation-polyanion complexes, compositions, and methods of use thereof AERIS THERAPEUTICS INC (US) 2009-06-24 CN disclosed
WO-2009006473-A2 PRO-SOFT POLYPEPTIDE PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2009-01-08 WO disclosed
WO-2008128064-A2 TRUNCATED ANALOGS OF PEPTIDE AND POLYPEPTIDE THERAPEUTICS TRUSTEES OF TUFTS COLLEGE (US) 2008-10-23 WO disclosed
WO-2008119005-A1 3,4-DEHYDRO-PROLINE-CONTAINING INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 WO disclosed
WO-2008118848-A1 N-SUBSTITUTED PEPTIDOMIMETIC INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 WO disclosed
WO-2008116053-A2 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
WO-2008116054-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
WO-2008022015-A2 RETRO-INVERSO INCRETIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-21 WO disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
US-20070110813-A1 Polycation-polyanion complexes, compositions and methods of use thereof AERIS THERAPEUTICS, INC. (US) 2007-05-17 US 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 (8 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-12121505-B2 Fap-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 SLC9A1 3687/4885ALDH1A1 749/4885MAPT 3925/4885
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 SLC9A1 3687/4885ALDH1A1 749/4885MAPT 3925/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 SLC9A1 3687/4885ALDH1A1 749/4885MAPT 3925/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A SLC9A1 4829/4885ALDH1A1 69/4885MAPT 2499/4885
US-20220296621-A1 FAP-Activated Therapeutic Agents, and Uses Related Thereto FAP, FIBP, GOT1 SLC9A1 4126/4885ALDH1A1 323/4885MAPT 3856/4885
US-12053450-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 SLC9A1 3687/4885ALDH1A1 749/4885MAPT 3925/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 SLC9A1 4126/4885ALDH1A1 323/4885MAPT 3856/4885
US-20240398842-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 SLC9A1 4115/4885ALDH1A1 317/4885MAPT 3818/4885

“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.