SCHEMBL2372861

SCHEMBL2372861

O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.44
ESPL1 Q14674 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HIF1A Q16665 2/20 0.43
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3060390 0.81 VCAM1 (0.46) VCAM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL29546613 0.78 VCAM1 (0.44) VCAM1ESPL1ALDH1A1HIF1ATDP1
SCHEMBL29671003 0.78 TSHR (0.42) VCAM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL28980003 0.78 VCAM1 (0.39) VCAM1ALDH1A1HIF1ATDP1TSHR
SCHEMBL624089 0.78 TSHR (0.42) VCAM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL1338960 0.78 VCAM1 (0.44) VCAM1ESPL1ALDH1A1HIF1ATDP1
SCHEMBL5258907 0.78 ESPL1 (0.47) VCAM1ESPL1ALDH1A1HIF1ATDP1
SCHEMBL3064995 0.75 VCAM1 (0.34) VCAM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL693936 0.74 MAPT (0.40) VCAM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL18322039 0.74 HCAR3 (0.43) VCAM1ALDH1A1TDP1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637754-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2025-10-29 EP disclosed
US-12384777-B2 Compounds comprising N-methyl-2-pyridone, and pharmaceutically acceptable salts Tay Therapeutics Limited (GB) 2025-08-12 US disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
US-20240308998-A1 PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Tay Therapeutics Limited (GB) 2024-09-19 US disclosed
WO-2024138201-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2024-06-27 WO disclosed
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-13 US disclosed
EP-4363417-A1 PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Tay Therapeutics Limited (GB) 2024-05-08 EP disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
WO-2018104766-A1 3-(2,3-DIHYDRO-1H-INDEN-5-YL)PROPANOIC ACID DERIVATIVES AND THEIR USE AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-14 WO disclosed
EP-3307729-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016203401-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
EP-2547338-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-23 EP disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA VCAM1 4617/4885ESPL1 4522/4885ALDH1A1 1064/4885
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 VCAM1 3362/4885ESPL1 4850/4885ALDH1A1 4161/4885
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF CACNA1G, CACNA1H, CACNB2 VCAM1 555/4885ESPL1 2120/4885ALDH1A1 4605/4885
US-20240308998-A1 PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, PYCR1, TPMT VCAM1 2502/4885ESPL1 4707/4885ALDH1A1 701/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 VCAM1 1947/4885ESPL1 3012/4885ALDH1A1 4148/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 VCAM1 1947/4885ESPL1 3012/4885ALDH1A1 4148/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 VCAM1 2906/4885ESPL1 4418/4885ALDH1A1 621/4885
US-12384777-B2 Compounds comprising N-methyl-2-pyridone, and pharmaceutically acceptable salts TPMT, IL5, P2RY6 VCAM1 1497/4885ESPL1 4621/4885ALDH1A1 1800/4885

“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.