SCHEMBL1799181

SCHEMBL1799181

Nc1cc(Cl)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 7/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
CTSB P07858 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
VCAM1 P19320 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL29430861 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL23000479 0.92 MAPT (0.53) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL838256 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL7653551 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL30458055 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL1193334 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL13609636 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL11550471 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL30606309 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL4090172 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101436-A1 APTAMERS AND SMALL MOLECULE LIGANDS MeiraGTx Gene Regulation Limited (GB) 2025-03-27 US disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
EP-4448769-A2 APTAMERS AND SMALL MOLECULE LIGANDS Meiragtx UK II Limited (GB) 2024-10-23 EP disclosed
CN-118786217-A Aptamer and small molecule ligand 梅里特斯英国第二有限公司 2024-10-15 CN disclosed
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-04-25 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
EP-0378167-A1 Disperse dye composition useful for dyeing or printing hydrophobic fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-18 EP disclosed
US-4355030-A Antiviral combinations ELI LILLY AND COMPANY (US) 1982-10-19 US disclosed
US-4289773-A ETHYL 6,7-DIBROMO-3,4-DIHYDRO-3-OXOQUINOXALINE CARBOXYLATE AND A HINDERED AMINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4271162-A ETHYL 6,7-DICHLORO-3,4-DIHYDRO-3-ONOQUINOXALINE CARBOXYLATE AND 1-AMINOADAMANTANE ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
EP-0020836-A1 Antiviral combinations ELI LILLY AND COMPANY (US) 1981-01-07 EP disclosed
US-4210647-A INFLUENZA VIRUS, ETHYL 6,7-DIBROMO-3,4-DIHYDRO-3-OXO-2-QUINOXALINECARBOXYLATE, 1-AMINOADAMANTANE ELI LILLY AND COMPANY (US) 1980-07-01 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 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 (6 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 ALDH1A1 1477/4885CYP3A4 3270/4885MAPT 4776/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885CYP3A4 34/4885MAPT 305/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 ALDH1A1 1431/4885CYP3A4 3298/4885MAPT 4771/4885
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF CUTA, DCXR, PLOD3 ALDH1A1 349/4885CYP3A4 2096/4885MAPT 740/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885CYP3A4 34/4885MAPT 305/4885
US-20250101436-A1 APTAMERS AND SMALL MOLECULE LIGANDS RNGTT, SLIRP, SNRPE ALDH1A1 2642/4885CYP3A4 4185/4885MAPT 4029/4885

“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.