SCHEMBL1890792

SCHEMBL1890792

CC(=Nc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.58
NOS1 P29475 2/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
HTR3B O95264 1/20 0.48
PLAU P00749 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
MAPT P10636 4/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL8155649 1.00 NOS3 (0.58) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL1890790 1.00 NOS3 (0.58) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL15073401 0.95 NOS3 (0.52) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL15073411 0.89 NOS1 (0.56) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL16382908 0.87 CYP2D6 (0.53) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL11421052 0.87 CYP2D6 (0.53) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL11421050 0.87 CYP2D6 (0.53) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL9302496 0.87 ESR1 (0.53) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL22594341 0.87 CYP2D6 (0.63) NOS3NOS1MEN1KMT2ALMNA
SCHEMBL15073407 0.85 LMNA (0.49) NOS3NOS1MEN1KMT2ALMNA

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
CN-109046447-B C2Synthesis of symmetric bicyclic bisboron catalysts 南开大学 2021-04-27 CN claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
EP-0239391-B1 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-02 EP claimed
EP-0239391-A2 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP claimed
EP-0036312-B1 PROCESS FOR PRODUCING P-NITROANILINE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-09-28 EP claimed
US-4370502-A NITRATION OF AN ALPHA-METHYLBENZALANILINE USING NITRIC ACID, ANALIPHATIC HALOGEN SOLVENT AND SULFURIC ACID; HYDROLYSIS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-01-25 US claimed
EP-0036312-A2 Process for producing p-nitroaniline MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-09-23 EP claimed
US-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME UNIV RUTGERS (US) 2024-11-21 US disclosed
EP-4452488-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME Rutgers, The State University Of New Jersey (US) 2024-10-30 EP disclosed
WO-2024100405-A1 CATALYTIC HYDROGENATION PROCESS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2024-05-16 WO disclosed
WO-2023122078-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-06-29 WO disclosed
US-11673125-B2 Metal oxide-supported earth-abundant metal catalysts for highly efficient organic transformations THE UNIVERSITY OF CHICAGO (US) 2023-06-13 US disclosed
EP-0239391-A2 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP disclosed
EP-0036312-B1 PROCESS FOR PRODUCING P-NITROANILINE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-09-28 EP disclosed
US-4370502-A NITRATION OF AN ALPHA-METHYLBENZALANILINE USING NITRIC ACID, ANALIPHATIC HALOGEN SOLVENT AND SULFURIC ACID; HYDROLYSIS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-01-25 US disclosed
US-4370502-A NITRATION OF AN ALPHA-METHYLBENZALANILINE USING NITRIC ACID, ANALIPHATIC HALOGEN SOLVENT AND SULFURIC ACID; HYDROLYSIS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-01-25 US disclosed
EP-0036312-A2 Process for producing p-nitroaniline MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-09-23 EP disclosed
EP-0036312-A2 Process for producing p-nitroaniline MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-09-23 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 (1 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-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME NDC1, NUDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NOS3 936/4885NOS1 921/4885MEN1 1446/4885

“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.