SCHEMBL132243

SCHEMBL132243

CN1C=CC=C(C(N)=O)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRR1 P24046 1/20 0.31
PARP1 P09874 1/20 0.30

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
Bromide SCHEMBL22206792 0.98 TSHR (0.32) TSHRMAPK1HSD17B10TDP1THRB
Hydrochloric Acid SCHEMBL134284 0.98 THRB (0.34) TSHRMAPK1HSD17B10TDP1THRB
Fluoride SCHEMBL22206791 0.98 TSHR (0.32) TSHRMAPK1HSD17B10TDP1THRB
Cyanide SCHEMBL22191188 0.94 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
Acetic Acid SCHEMBL2788321 0.94 TSHR (0.33) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL22206793 0.93 PARP1 (0.30) PARP1
SCHEMBL29082836 0.91
SCHEMBL29082823 0.90
SCHEMBL22190612 0.87
Trifluoromethanesulfonic Acid SCHEMBL5673706 0.86

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 1167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-20260125683-A1 TREATMENT OF CANCERS HAVING A DRUG-RESISTANT MESENCHYMAL CELL STATE DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-07 US claimed
US-12616738-B2 Solid compositions comprising a GLP-1 agonist and a salt of N-(8-(2-hydroxybenzoyl)amino)caprylic acid NOVO NORDISK A/S (DK) 2026-05-05 US claimed
US-20260090969-A1 COMPOSITIONS THAT PROTECT CELLS FROM OXIDATIVE AND MITOCHONDRIAL STRESS Nuchido Limited (GB) 2026-04-02 US claimed
US-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease SOCIETE DES PRODUITS NESTLE S.A. (CH) 2026-03-24 US claimed
EP-4680203-A1 COMPOSITIONS FOR SUSTAINED RELEASE OF POORLY SOLUBLE ACTIVE INGREDIENTS Prolevi Bio AB (SE) 2026-01-21 EP claimed
US-20250213549-A1 COMPOSITION COMPRISING NICOTINAMIDE, NICOTINAMIDE PRECURSORS, NICOTINAMIDE METABOLITES OR COMBINATIONS THEREOF FOR PREVENTING OR REDUCING ONE OR MORE POST-ACUTE SYMPTOMS OF INFECTIOUS DISEASES CONARIS RESEARCH INSTITUTE AG (DE) 2025-07-03 US claimed
US-20250172571-A1 Biosignatures for Fatigue Syndromes LABORATORIUM M NUYTINCK (BE) 2025-05-29 US claimed
CN-119936223-A Metabolic marker for diagnosing or monitoring gastric cancer, screening method and application thereof 武汉迈特维尔医学科技有限公司 2025-05-06 CN claimed
US-12292445-B2 Methods of selecting subjects for treatment with metabolomic modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-05-06 US claimed
WO-2007074406-A2 FORMULATIONS FOR TREATMENT OF LIPOPROTEIN ABNORMALITIES COMPRISING A STATIN A STATIN AND A METHYLNICOTINAMIDE DERIVATIVE PHARMENA NORTH AMERICA INC. (CA) 2007-07-05 WO claimed
WO-2007023398-A2 COMPOUNDS FOR PHOTOCHEMOTHERAPY UNIVERSITE DE GENEVE (US) 2007-03-01 WO claimed
CN-1905875-A The use of quaternary pyridinium salts as vasoprotective agents PHARMENA SP Z O O (PL) 2007-01-31 CN claimed
US-20070021379-A1 Methylnicotinamide derivatives and formulations for treatment of lipoprotein abnormalities PHARMENA NORTH AMERICA INC. (CA) 2007-01-25 US claimed
EP-1713480-A2 THE USE OF QUATERNARY PYRIDINIUM SALTS AS VASOPROTECTIVE AGENTS Pharmena Sp Zo.o. (PL) 2006-10-25 EP claimed
WO-2006024545-A1 FUSED BICYCLIC NATURAL COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP AND PARP-MEDIATED INFLAMMATORY PROCESSES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2006-03-09 WO claimed
WO-2005067927-A2 THE USE OF QUATERNARY PYRIDINIUM SALTS AS VASOPROTECTIVE AGENTS PHARMENA SP Z O.O. (PL) 2005-07-28 WO claimed
EP-1147086-B1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2005-03-30 EP claimed
EP-1147086-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES Technical University of Lodz (PL) 2001-10-24 EP claimed
WO-2000040559-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2000-07-13 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 (5 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-20260090969-A1 COMPOSITIONS THAT PROTECT CELLS FROM OXIDATIVE AND MITOCHONDRIAL STRESS NLN, TFAM, CYP27B1 TSHR 3400/4885MAPK1 2184/4885HSD17B10 1746/4885
US-12616738-B2 Solid compositions comprising a GLP-1 agonist and a salt of N-(8-(2-hydroxybenzoyl)amino)caprylic acid SLC5A1, GLP1R, SLC5A2 TSHR 2274/4885MAPK1 668/4885HSD17B10 3918/4885
US-20070021379-A1 Methylnicotinamide derivatives and formulations for treatment of lipoprotein abnormalities HMGCR, NAMPT, NNMT TSHR 3818/4885MAPK1 2082/4885HSD17B10 288/4885
US-20260125683-A1 TREATMENT OF CANCERS HAVING A DRUG-RESISTANT MESENCHYMAL CELL STATE ACTR2, RPS6KB2, EPB41L2 TSHR 3673/4885MAPK1 2139/4885HSD17B10 3672/4885
US-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease GLS, AADAT, FGF23 TSHR 2407/4885MAPK1 1697/4885HSD17B10 4795/4885

“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.