SCHEMBL9754814

SCHEMBL9754814

COC(=O)C(=O)N(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL17704773 0.83 KMT2A (0.53) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL13580923 0.81 MEN1 (0.45) KDM4EALDH1A1MAPTRXFP1L3MBTL1
SCHEMBL11781160 0.81 L3MBTL1 (0.43) KDM4EALDH1A1MAPTRXFP1L3MBTL1
SCHEMBL11533493 0.79 KMT2A (0.51) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL2754153 0.79 L3MBTL1 (0.42) KDM4EALDH1A1MAPTRXFP1L3MBTL1
SCHEMBL491229 0.79 RAB9A (0.54) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL9456596 0.79 KMT2A (0.50) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL31339223 0.77 HTT (0.49) KDM4EL3MBTL1LMNAHTTKMT2A
SCHEMBL2754142 0.76 LMNA (0.55) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL15632969 0.76 HPGD (0.50) KDM4EALDH1A1MAPTHTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
WO-1991013069-A1 HERBICIDAL PYRIDINE DERIVATIVES AND THEIR SALTS OF 3-(AMINOOXOACETYL)-2-(2-IMIDAZOLIN-2-YL) KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-09-05 WO 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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 KDM4E 4072/4885ALDH1A1 213/4885MAPT 1200/4885

“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.