SCHEMBL922221

SCHEMBL922221

NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.69
ST14 Q9Y5Y6 3/20 0.61
TAAR1 Q96RJ0 1/20 0.53
IDO1 P14902 2/20 0.52
MAPK14 Q16539 1/20 0.48
LTA4H P09960 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
Hydrochloric Acid SCHEMBL4373482 0.98 MAOB (0.72) MAOBST14TAAR1IDO1MAPK14
SCHEMBL108337 0.87 TAAR1 (0.67) MAOBTAAR1IDO1KMT2A
SCHEMBL920315 0.86 MAOB (0.54) MAOBST14TAAR1IDO1MAPK14
Hydrochloric Acid SCHEMBL4019326 0.85 MAOB (0.69) MAOBTAAR1IDO1KMT2A
Iodide SCHEMBL29187466 0.85 TAAR1 (0.64) MAOBTAAR1IDO1KMT2A
Bromide SCHEMBL31186283 0.85 TAAR1 (0.64) MAOBTAAR1IDO1KMT2A
Hydrochloric Acid SCHEMBL923014 0.85 MAOB (0.56) MAOBST14TAAR1IDO1MAPK14
SCHEMBL2872345 0.85 TAAR1 (0.78) MAOBTAAR1IDO1LTA4H
SCHEMBL921317 0.84 MAOB (0.61) MAOBST14TAAR1IDO1MAPK14
Hydrochloric Acid SCHEMBL17042516 0.83 TAAR1 (0.75) MAOBTAAR1IDO1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994005642-A1 INDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO claimed
US-8153638-B2 Metabotropic glutamate-receptor-potentiating isoindolones ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20100317674-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones VAN WAGENEN BRADFORD 2010-12-16 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7807706-B2 Metabotropic glutamate-receptor-potentiating isoindolones ASTRAZENECA AB (SE) 2010-10-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20080227794-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2008-09-18 US disclosed
EP-1912939-A1 METABOTROPIC GLUTAMATE-RECEPTOR-POTENTIATING ISOINDOLONES AstraZeneca AB (SE) 2008-04-23 EP disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2007021308-A1 METABOTROPIC GLUTAMATE-RECEPTOR-POTENTIATING ISOINDOLONES ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
EP-0365925-B1 Pyrazole amides and insecticide and miticide containing them as active ingredient MITSUBISHI CHEM CORP (JP) 1995-07-19 EP disclosed
WO-1994005642-A1 INDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5039693-A Pyrazole amides and insecticide and miticide containing them as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1991-08-13 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 (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-20100317674-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM2 MAOB 3122/4885ST14 4091/4885TAAR1 219/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 MAOB 3508/4885ST14 3725/4885TAAR1 286/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAOB 3730/4885ST14 708/4885TAAR1 2785/4885
US-20080227794-A1 Metabotropic Glutamate-Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM2 MAOB 3122/4885ST14 4091/4885TAAR1 219/4885

“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.