SCHEMBL712247

SCHEMBL712247

NCCCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
DGAT1 O75907 2/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
HCAR3 P49019 3/20 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
SCHEMBL295430 1.00 CRHBP (0.48) CRHBPCRHR2DGAT1MAPTALDH1A1
SCHEMBL29395468 1.00 CRHBP (0.48) CRHBPCRHR2DGAT1MAPTALDH1A1
Hydrochloric Acid SCHEMBL19970925 0.99 CRHBP (0.47) CRHBPCRHR2DGAT1MAPTALDH1A1
Hydrochloric Acid SCHEMBL19970924 0.99 CRHBP (0.47) CRHBPCRHR2DGAT1MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL29659178 0.94 POLB (0.44) CRHBPCRHR2DGAT1MAPTALDH1A1
SCHEMBL4295081 0.87 CRHBP (0.50) CRHBPCRHR2DGAT1MAPTALDH1A1
SCHEMBL26496459 0.87 ALDH1A1 (0.56) CRHBPCRHR2DGAT1MAPTALDH1A1
SCHEMBL1875530 0.87 CRHBP (0.52) CRHBPCRHR2MAPTALDH1A1KDM4E
SCHEMBL1875534 0.87 CRHBP (0.52) CRHBPCRHR2MAPTALDH1A1KDM4E
SCHEMBL10419285 0.85 NPC1 (0.52) CRHBPCRHR2DGAT1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 US claimed
US-20250320181-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS ARTIZAN BIOSCIENCES INC (US) 2025-10-16 US disclosed
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists BAYER AKTIENGESELLSCHAFT (DE) 2025-08-26 US disclosed
US-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2024-12-26 US disclosed
EP-4405330-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2024-07-31 EP disclosed
EP-4058448-B1 HYDANTOIN DERIVATIVES AS ADAMTS7 ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER AG (DE) 2024-05-29 EP disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
US-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 US disclosed
WO-2023049785-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2023-03-30 WO disclosed
US-20230027346-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
CN-101932936-A Resonance energy transfer assay using cleavage sequence and spacer BIOSENTINEL LLC 2010-12-29 CN disclosed
EP-2208067-A1 RESONANCE ENERGY TRANSFER ASSAY WITH CLEAVAGE SEQUENCE AND SPACER Biosentinel, LLC (US) 2010-07-21 EP disclosed
US-20090240040-A1 PURIFICATION OF A BIVALENTLY ACTIVE ANTIBODY USING A NON-CHROMATOGRAPHIC METHOD PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-24 US disclosed
EP-2049570-A2 PURIFICATION OF A BIVALENTLY ACTIVE ANTIBODY USING A NON-CHROMATOGRAPHIC METHOD President and Fellows of Harvard College (US) 2009-04-22 EP disclosed
WO-2009035476-A1 RESONANCE ENERGY TRANSFER ASSAY WITH CLEAVAGE SEQUENCE AND SPACER BIOSENTINEL, LLC (US) 2009-03-19 WO disclosed
WO-2007143121-A2 PURIFICATION OF A BIVALENTLY ACTIVE ANTIBODY USING A NON-CHROMATOGRAPHIC METHOD PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-12-13 WO disclosed
EP-1751284-A2 METHOD AND COMPOSITIONS FOR DETECTING BOTULINUM NEUROTOXIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-02-14 EP disclosed
US-20060134722-A1 Method and compositions for detecting botulinum neurotoxin WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-06-22 US disclosed
WO-2005076785-A2 METHOD AND COMPOSITIONS FOR DETECTING BOTULINUM NEUROTOXIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-08-25 WO disclosed
US-6504006-B1 Detecting and measuring the proteolytic activity of botulium type A neurotoxin in an assay are described. Detection is based on an increase in fluorescence due to hydrolysis of these internally quenched fluorescent peptide substrates by LIST BIOLOGICAL LABORATORIES, INC. 2003-01-07 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 (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-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI CRHBP 2383/4885CRHR2 4716/4885DGAT1 3050/4885
US-20250320181-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, STMN1 CRHBP 2247/4885CRHR2 4787/4885DGAT1 4077/4885
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists ADAMTS7, MMP7, ADAM17 CRHBP 1830/4885CRHR2 497/4885DGAT1 4458/4885
US-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI CRHBP 2383/4885CRHR2 4716/4885DGAT1 3050/4885
US-20230027346-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAM17 CRHBP 1830/4885CRHR2 497/4885DGAT1 4458/4885

“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.