SCHEMBL420231

SCHEMBL420231

O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
KMT2A Q03164 3/20 1.00
PPARG P37231 3/20 1.00
MAPT P10636 3/20 1.00
MEN1 O00255 2/20 1.00
CYP3A4 P08684 2/20 1.00
MAPK1 P28482 2/20 1.00
LMNA P02545 2/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
PKM P14618 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
MTOR P42345 1/20 1.00
PMP22 Q01453 1/20 1.00

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
SCHEMBL29369092 1.00 RORC (1.00) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7129256 0.92 RORC (0.85) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7125062 0.92 RORC (0.85) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7120914 0.91 RORC (0.83) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7130609 0.91 RORC (0.84) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7130551 0.90 RORC (0.82) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7128352 0.90 RORC (0.81) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7122936 0.89 RORC (0.80) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL7119681 0.89 RORC (0.79) RORCSMN1; SMN2KMT2APPARGMAPT
SCHEMBL6097331 0.89 RORC (0.79) RORCSMN1; SMN2KMT2APPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841097-B1 2,6-BIS(((1H-BENZO[D]IMIDAZOL-2-YL)THIO)METHYL)PYRIDINE AND N2,N6-DIBENZYLPYRIDINE-2,6-DICARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS FOR TREATING CANCER BIOMEDICAL RES FOUNDATION OF THE ACADEMY OF ATHENS BRFAA (GR) 2026-05-20 EP claimed
EP-3452041-B1 COMPOSITIONS AND METHODS FOR ADMINISTERING PPAR-GAMMA-AGONISTS, SURFACTANT PEPTIDES AND PHOSPHOLIPIDS LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2026-01-14 EP claimed
US-20250006331-A1 QUANTITATIVE SYSTEMS PHARMACOLOGY METHODS FOR IDENTIFYING THERAPEUTICS FOR DISEASE STATES UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2025-01-02 US claimed
US-20240398905-A1 COMPOSITIONS AND METHOD FOR ADMINISTERING PPARgamma AGONISTS, SURFACTANT PEPTIDES AND PHOSOPHOLIPIDS LUNDQUIST INSTITUTE FOR BIOMEDICAL INNOVATION AT HARBOR-UCLA MEDICAL CENTER 2024-12-05 US claimed
US-11951158-B2 Compositions and methods for administering PPARγ agonists, surfactant peptides and phospholipids LINDQUIST INSTITUTE FOR BIOMEDICAL INNOVATION AT HARBOR-UCLA MEDICAL CENTER (US) 2024-04-09 US claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
WO-2023034381-A1 QUANTITATIVE SYSTEMS PHARMACOLOGY METHODS FOR IDENTIFYING THERAPEUTICS FOR DISEASE STATES UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-03-09 WO claimed
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER SERVICIO ANDALUZ DE SALUD (ES) 2022-05-12 US claimed
EP-3319965-B1 NOVEL COMPOUNDS FOR USE IN TREATING OR PREVENTING CANCEROUS DISEASES BIOMEDICAL RES FOUNDATION OF THE ACADEMY OF ATHENS (GR) 2022-05-04 EP claimed
CN-113272294-A 2, 6-bis (((1H-benzo [ D ] imidazol-2-yl) thio) methyl) pyridine and N2, N6-dibenzylpyridine-2, 6-dicarboxamide derivatives and related compounds as phosphoinositide 3-kinase (PI3K) inhibitors for the treatment of cancer 雅典学院生物医学研究基金会 2021-08-17 CN claimed
EP-2066355-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS Braincells, Inc. (US) 2009-06-10 EP claimed
US-20080103165-A1 PPAR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2008-05-01 US claimed
WO-2008036678-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS BRAINCELLS, INC. (US) 2008-03-27 WO claimed
US-20060194769-A1 Small molecules that reduce fungal growth UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-31 US claimed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO claimed
WO-2005077126-A9 USE OF PPARGAMMA SPECIFIC INHIBITORS AS ANTI-CANCER THERAPEUTICS BOSTON MEDICAL CT CORP (US) 2005-10-06 WO claimed
WO-2005077126-A2 USE OF PPARGAMMA SPECIFIC INHIBITORS AS ANTI-CANCER THERAPEUTICS BOSTON MEDICAL CENTER CORPORATION (US) 2005-08-25 WO claimed
JP-2002539185-A 2002-11-19 JP claimed
EP-1161412-A1 NUCLEAR RECEPTOR ARYLATING COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-12-12 EP claimed
WO-2000055118-A1 NUCLEAR RECEPTOR ARYLATING COMPOUNDS GLAXO GROUP LIMITED (GB) 2000-09-21 WO claimed

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-20060194769-A1 Small molecules that reduce fungal growth ERG28, DPM1, CYP51A1 RORC 2353/4885SMN1; SMN2 4868/4885KMT2A 3817/4885
US-20250006331-A1 QUANTITATIVE SYSTEMS PHARMACOLOGY METHODS FOR IDENTIFYING THERAPEUTICS FOR DISEASE STATES STAT1, STAT4, ABCB1 RORC 601/4885SMN1; SMN2 2471/4885KMT2A 3498/4885
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER ADH1A, ADH5, ADH1C RORC 542/4885SMN1; SMN2 4550/4885KMT2A 1365/4885
US-20080103165-A1 PPAR MEDIATED MODULATION OF NEUROGENESIS PPARG, PPARA, PPARD RORC 145/4885SMN1; SMN2 339/4885KMT2A 2807/4885

“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.