SCHEMBL313585

SCHEMBL313585

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 5/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
MAPT P10636 7/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.42
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL463026 0.93 MAPT (0.49) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL31495030 0.93 MAPT (0.49) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL8903008 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL29672221 0.84 TSHR (0.52) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL602444 0.84 TSHR (0.52) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL29435964 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL1192979 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL1770903 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL9807537 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRALOX15
SCHEMBL1770886 0.79 TSHR (0.47) ALDH1A1CYP3A4TDP1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2026-05-26 US disclosed
CN-122059964-A Nitrogen heterocyclic compound, and preparation method and application thereof 河北科技大学 2026-05-19 CN disclosed
US-12522580-B2 Fluorine-containing pyrimidine compounds, harmful fungus control agent, and method for producing fluorine-containing pyrimidine compounds UNIMATEC CO., LTD. (JP) 2026-01-13 US disclosed
EP-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 WO disclosed
US-20250109117-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS, HARMFUL FUNGUS CONTROL AGENT, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS UNIMATEC CO., LTD. (JP) 2025-04-03 US disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
EP-4431502-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS, HARMFUL FUNGI CONTROL AGENT, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS Unimatec Co., Ltd. (JP) 2024-09-18 EP disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
CN-118251386-A Fluoropyrimidine compound, harmful fungus control agent, and process for producing fluoropyrimidine compound 优迈特株式会社 2024-06-25 CN disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed
US-5677305-A NERVOUS SYSTEM DISORDERS SHIONOGI & CO., LTD. (JP) 1997-10-14 US disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
EP-0676397-A1 Oxopyridinylquinoxaline derivatives SHIONOGI & CO., LTD. (JP) 1995-10-11 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed
EP-0004623-A1 Process for the preparation of aromatic amines BAYER AG (DE) 1979-10-17 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 (4 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 3270/4885TDP1 3641/4885
US-20250109117-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS, HARMFUL FUNGUS CONTROL AGENT, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS NAT1, CYP2F1, CYP1A1 ALDH1A1 165/4885CYP3A4 540/4885TDP1 478/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 ALDH1A1 1431/4885CYP3A4 3298/4885TDP1 3614/4885
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 ALDH1A1 3385/4885CYP3A4 2464/4885TDP1 4641/4885

“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.