SCHEMBL1817774

SCHEMBL1817774

NC(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
PTPRA P18433 1/20 0.61
CYP2C19 P33261 1/20 0.58
GRM8 O00222 1/20 0.53
GRM4 Q14833 1/20 0.53
GRIA2 P42262 1/20 0.51
KMO O15229 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL1817775 1.00 CYP1A2 (0.61) CYP1A2PTPRACYP2C19GRM8GRM4
SCHEMBL30959758 1.00 CYP1A2 (0.61) CYP1A2PTPRACYP2C19GRM8GRM4
SCHEMBL385176 0.85 GRIA2 (0.51) CYP1A2PTPRACYP2C19GRIA2TDP1
SCHEMBL385177 0.85 GRIA2 (0.51) CYP1A2PTPRACYP2C19GRIA2TDP1
SCHEMBL9755057 0.85 CYP1A2 (0.57) CYP1A2PTPRAGRM8GRM4KMO
SCHEMBL16671961 0.84 PTPRA (0.60) CYP1A2PTPRACYP2C19GRM8GRM4
SCHEMBL12226104 0.84 PTPRA (0.60) CYP1A2PTPRACYP2C19GRIA2KMO
SCHEMBL2127356 0.84 GRIA2 (0.50) CYP1A2PTPRACYP2C19GRIA2TDP1
SCHEMBL7257400 0.84 PTPRA (0.60) CYP1A2PTPRACYP2C19GRM8GRM4
SCHEMBL17002633 0.84 GRIA2 (0.50) CYP1A2PTPRACYP2C19GRIA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194143-B1 MEASUREMENT ACTIVITY BY MONITORING SUBSTRATE CLEAVAGE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-02-27 US claimed
EP-0948640-A2 IMPROVED SUBSTRATES FOR HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-10-13 EP claimed
WO-1998029562-A2 IMPROVED SUBSTRATES FOR HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-07-09 WO claimed
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
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 CN disclosed
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-07-02 US 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-1948243-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF Aeris Therapeutics, Inc. (US) 2008-07-30 EP disclosed
EP-1945797-A1 HEPATITIS C VIRUS NS2/3 ACTIVITY ASSAY Boehringer Ingelheim International GmbH (DE) 2008-07-23 EP 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-20070212754-A1 Hepatitis C Virus NS2/3 Activity Assay BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-13 US disclosed
WO-2007055950-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF AERIS THERAPEUTICS, INC. (US) 2007-05-18 WO disclosed
US-20070110813-A1 Polycation-polyanion complexes, compositions and methods of use thereof AERIS THERAPEUTICS, INC. (US) 2007-05-17 US disclosed
WO-2007048254-A1 HEPATITIS C VIRUS NS2/3 ACTIVITY ASSAY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-6194143-B1 MEASUREMENT ACTIVITY BY MONITORING SUBSTRATE CLEAVAGE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-02-27 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 (7 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 CYP1A2 2416/4885PTPRA 217/4885CYP2C19 3287/4885
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CYP1A2 2416/4885PTPRA 217/4885CYP2C19 3287/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 2416/4885PTPRA 217/4885CYP2C19 3287/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A CYP1A2 15/4885PTPRA 3895/4885CYP2C19 239/4885
US-12053450-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 2416/4885PTPRA 217/4885CYP2C19 3287/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 1625/4885PTPRA 114/4885CYP2C19 3010/4885
US-20240398842-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CYP1A2 1575/4885PTPRA 116/4885CYP2C19 2922/4885

“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.