SCHEMBL260864

SCHEMBL260864

O=[N+]([O-])c1ccc(CBr)c(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GSK3B P49841 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
GPR35 Q9HC97 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 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
SCHEMBL29368452 1.00 CYP1A2 (0.47) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL28218218 0.90 POLB (0.52) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL19336225 0.90 POLB (0.52) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL5598378 0.89 GSK3B (0.43) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL38665418 0.89 CYP1A2 (0.46) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL18331626 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL13006522 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29706685 0.86 PTPRC (0.52) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL9800931 0.86 CYP1A2 (0.41) CYP1A2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL2180238 0.85 CA12 (0.44) CYP1A2ALDH1A1TDP1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060915-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME Mologic Limited (GB) 2016-08-31 EP claimed
WO-2015059487-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME MOLOGIC LIMITED (GB) 2015-04-30 WO claimed
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2025-07-03 US disclosed
US-12320804-B2 Detection of cleavage activity of an enzyme MOLOGIC LIMITED (GB) 2025-06-03 US disclosed
US-20250157661-A1 MONITORING INFLAMMATION STATUS MOLOGIC LIMITED (GB) 2025-05-15 US disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-11953506-B2 Monitoring inflammation status MOLOGIC LIMITED (GB) 2024-04-09 US disclosed
EP-3928100-B1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LTD (GB) 2023-03-22 EP disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
US-4414220-A HUPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1983-11-08 US disclosed
US-4333932-A DIHYDROISOINDOLES, HYPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1982-06-08 US disclosed
EP-0010896-B1 ORGANIC DIAMINE COMPOUNDS FOR USE AS ORAL HYPOGLYCEMIC AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-12-30 EP disclosed
US-4220650-A HYPOGLYCEMIC PFIZER INC. (US) 1980-09-02 US disclosed
EP-0010896-A1 Organic diamine compounds for use as oral hypoglycemic agents and pharmaceutical compositions thereof PFIZER INC. (US) 1980-05-14 EP 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 (3 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-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CYP1A2 4022/4885ALDH1A1 3906/4885TDP1 1600/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CYP1A2 396/4885ALDH1A1 2923/4885TDP1 4742/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F CYP1A2 1378/4885ALDH1A1 2527/4885TDP1 1569/4885

“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.