SCHEMBL921409

SCHEMBL921409

Cc1cccc(COc2c[c]ccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.60
MAOA P21397 3/20 0.55
IDO1 P14902 2/20 0.49
GRM5 P41594 1/20 0.45
ACHE P22303 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL2264253 0.88 MAOB (0.56) MAOBMAOAACHEFFAR1
SCHEMBL5669738 0.87 PARP10 (0.45) MAOBMAOAGRM5FFAR1
SCHEMBL919554 0.84 MAOB (0.59) MAOBIDO1ACHE
SCHEMBL920280 0.82 MAOB (0.61) MAOBMAOAIDO1ACHENR1H4
SCHEMBL920275 0.82 MAOB (0.54) MAOBMAOA
SCHEMBL15344203 0.81 MAOB (0.80) MAOBMAOAIDO1GRM5ACHE
SCHEMBL919538 0.81 MAOB (0.56) MAOBMAOAIDO1GRM5
SCHEMBL921367 0.81 MAOB (0.59) MAOBMAOAIDO1
SCHEMBL9805772 0.81 MAOB (0.56) MAOBMAOAIDO1GRM5ACHE
SCHEMBL95949 0.80 MAOB (0.50) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020085358-A1 REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT FOR INK AND REVERSIBLE THERMOCHROMIC AQUEOUS INK COMPOSITION USING SAME 株式会社パイロットコーポレーション 2020-04-30 WO disclosed
CN-110446770-A Reversible thermal discoloration composition and reversible thermal discoloration microcapsule pigment containing the same PILOT INK CO LTD 2019-11-12 CN disclosed
CN-106459637-B Reversible thermochromic seal ink composition and seal 株式会社百乐 2019-10-01 CN disclosed
EP-3204390-B1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2019-06-05 EP disclosed
US-10149477-B2 Substituted pyrimidinium compounds for combating animal pests BASF SE (DE) 2018-12-11 US disclosed
US-20170295791-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS Basf India Limited (IN) 2017-10-19 US disclosed
EP-3204390-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2017-08-16 EP disclosed
CN-106459637-A Ink composition for reversibly thermochromic stamps and stamp 株式会社百乐 2017-02-22 CN disclosed
WO-2016055431-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2016-04-14 WO disclosed
CN-105308150-A Thermochromic color-memorizing composition and thermochromic color-memorizing microcapsule pigment encapsulating same PILOT INK CO LTD 2016-02-03 CN disclosed
CN-105143367-A Solid writing material PILOT CORP 2015-12-09 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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
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-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAOB 3730/4885MAOA 3447/4885IDO1 675/4885
US-20170295791-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS DDT, NPEPPS, PLPBP MAOB 1374/4885MAOA 2072/4885IDO1 386/4885
US-10149477-B2 Substituted pyrimidinium compounds for combating animal pests DDT, NPEPPS, PLPBP MAOB 1374/4885MAOA 2072/4885IDO1 386/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MAOB 4351/4885MAOA 4535/4885IDO1 236/4885

“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.