SCHEMBL942356

SCHEMBL942356

COc1ccc2c(c1)C(ONc1ccccc1)C(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
MAOB P27338 3/20 0.42
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MTNR1A P48039 5/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MTNR1B P49286 4/20 0.39
GAA P10253 1/20 0.39
AR P10275 2/20 0.38
MIF P14174 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NQO2 P16083 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL942484 0.81 ANPEP (0.38) HTR2AHTR2CSLC6A3RAB9ASMN1; SMN2
SCHEMBL942741 0.77 MTNR1A (0.42) MTNR1AHTR2AHTR2CHTR2BMTNR1B
SCHEMBL5512979 0.72 HTR2C (0.53) MTNR1AHTR2AHTR2CHTR2BMTNR1B
SCHEMBL6826968 0.72 HTR2A (0.50) MAOBKDM1AMAOAMTNR1AHTR2A
SCHEMBL11705648 0.70 HTR2C (0.51) MTNR1AHTR2AHTR2CHTR2BMTNR1B
SCHEMBL943446 0.68 ANPEP (0.50) HTR2AHTR2CSMN1; SMN2
SCHEMBL809758 0.67 CA1 (0.55) MAOBHTR2AMIFSLC6A2SLC6A4
SCHEMBL10864330 0.66 DRD1 (0.52) MAOBKDM1AMAOAHTR2AHTR2C
SCHEMBL10862111 0.66 DRD1 (0.52) MAOBKDM1AMAOAHTR2AHTR2C
SCHEMBL27843774 0.65 HSP90AA1 (0.36) GAAMIFRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372985-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-02-12 US disclosed
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-29 US disclosed
US-8252941-B2 Process of making alpha-aminooxyketone/alpha-aminooxyaldehyde and alpha-hydroxyketone/alpha-hydroxyaldehyde compounds and a process making reaction products from cyclic alpha, beta-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-08-28 US disclosed
US-7872123-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process making reaction products from cyclic α,β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-18 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
EP-1742905-A2 PROCESS OF MAKING ALFA-AMINOOXYKETONE/ ALFA-AMINOOXYALDEHYDE AND ALFA-HYDROXYKETONE/ ALFA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC ALFA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES Japan Science and Technology Agency (JP) 2007-01-17 EP disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP disclosed
WO-2005090294-A2 PROCESS OF MAKING α-AMINOOXYKETONE/α-AMINOOXYALDEHYDE AND α-HYDROXYKETONE/α-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC α,ß-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-09-29 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 (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-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction XDH, PDXK, AOX1 MAPK14 1705/4885MAOB 213/4885KDM1A 1722/4885
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH MAPK14 745/4885MAOB 2021/4885KDM1A 2691/4885
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, QSOX1, KMO MAPK14 1904/4885MAOB 175/4885KDM1A 1813/4885
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, AOX1, QSOX1 MAPK14 1974/4885MAOB 156/4885KDM1A 1917/4885

“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.