SCHEMBL1757487

SCHEMBL1757487

COc1cccc(NCc2ccccc2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.63
POLB P06746 1/20 0.62
MAPT P10636 3/20 0.58
USP2 O75604 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NOS1 P29475 1/20 0.57
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
HDAC4 P56524 1/20 0.55
MEF2D Q14814 1/20 0.55
CASR P41180 1/20 0.55
RAB9A P51151 1/20 0.55
F2 P00734 1/20 0.55
MAOB P27338 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL10055018 0.93 NOS1 (0.63) HIF1APOLBMAPTKDM4EALDH1A1
SCHEMBL24097464 0.91 MAPT (0.68) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL30480895 0.90 MAPT (0.64) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL1134085 0.90 HIF1A (0.76) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL14689659 0.90 MAPT (0.64) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL30373777 0.90 HIF1A (0.76) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL6695006 0.88 MAPT (0.68) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL17605113 0.87 MEN1 (0.64) MAPTGAAMEN1KMT2ANOS1
SCHEMBL9595678 0.86 CHRM2 (0.56) HIF1APOLBUSP2KDM4EALDH1A1
SCHEMBL2320797 0.86 HIF1A (0.57) HIF1APOLBMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
CN-110305025-A A method of benzylamine compound is synthesized by imines catalytic hydrogenation 衢州学院 2019-10-08 CN disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
EP-1885718-B1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE LIFE TECHNOLOGIES CORP (US) 2017-03-15 EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9366676-B2 Fluorescent chemical compounds having high selectivity for double stranded DNA, and methods for their use Life Technologies Corporation (US) 2016-06-14 US disclosed
US-20150316558-A1 Fluorescent Chemical Compounds Having High Selectivity for Double Stranded DNA, and Methods for Their Use MOLECULAR PROBES, INC. 2015-11-05 US disclosed
EP-1973868-B1 Novel elatonin ligands having antidepressant activity as well as sleep inducing properties UNIV MCGILL (CA) 2015-09-09 EP disclosed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US disclosed
EP-0802173-B1 Process for producing heterocylic aromatic amine or arylamine TOSOH CORP (JP) 2001-12-19 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 EP disclosed
US-4758563-A 3-alkoxy-2-aminopropyamines, cardiovascular compositions and use MCNEILAB, INC. (US) 1988-07-19 US disclosed
US-4727072-A HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1988-02-23 US disclosed
EP-0237191-A1 3-alkoxy-2-aminopropylamines useful as cardiovascular agents McNeilab, Inc. (US) 1987-09-16 EP disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US 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 (3 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-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R HIF1A 3543/4885POLB 4511/4885MAPT 3521/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 HIF1A 2449/4885POLB 2211/4885MAPT 1200/4885
US-20150316558-A1 Fluorescent Chemical Compounds Having High Selectivity for Double Stranded DNA, and Methods for Their Use POLRMT, DNA2, NSUN2 HIF1A 2365/4885POLB 24/4885MAPT 3102/4885

“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.