SCHEMBL7248809

SCHEMBL7248809

O=C(O)/C(=C\c1ccc(OCCN2COc3ccccc3C2=O)cc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.41
ACHE P22303 5/20 0.39
BCHE P06276 2/20 0.37
MAOA P21397 2/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7248813 1.00 MAOB (0.41) MAOBACHEBCHEMAOAKMT2A
SCHEMBL7250197 0.83 NR1H4 (0.40) MAOBACHEBCHEMAOAKMT2A
SCHEMBL7250201 0.83 NR1H4 (0.40) MAOBACHEBCHEMAOAKMT2A
SCHEMBL6949825 0.81 ACHE (0.45) MAOBACHEBCHEMAOARAB9A
SCHEMBL5107687 0.80 KMT2A (0.42) MAOBMAOAKMT2APDK2MAPT
SCHEMBL5107694 0.80 KMT2A (0.42) MAOBMAOAKMT2APDK2MAPT
SCHEMBL5113624 0.80 KMT2A (0.42) MAOBMAOAKMT2APDK2MAPT
SCHEMBL27544928 0.79 KMT2A (0.32) MAOBKMT2AMAPT
SCHEMBL8796826 0.76 MAOB (0.48) MAOBACHEBCHEMAOAMAPT
SCHEMBL7454718 0.74 MGAM (0.58) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US claimed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP claimed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 WO claimed
US-6664411-B2 Beta-aryl/alpha-oxysubstituted alkylcarboxylic acids of 4-oxo-or thiocarbonylchromenes or thiochromenes; antiobesity, -cholesterol - diabetic agents; agonists of peroxisome proliferator activated receptors; kidney disorders DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-16 US disclosed
US-6331627-B1 Intermediates of benzoxazinone derivatives and preparation thereof REDDY'S LABORATORIES LTD. (IN) 2001-12-18 US disclosed
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US disclosed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
US-6130214-A Benzothiazin and benzoxazin derivatives; their preparation and uses DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-10-10 US disclosed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 MAOB 870/4885ACHE 3693/4885BCHE 1453/4885

“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.