SCHEMBL920331

SCHEMBL920331

Cc1cccc(COc2ccc[c]c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
HTR6 P50406 2/20 0.48
MAOB P27338 6/20 0.47
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MRGPRX4 Q96LA9 4/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MAOA P21397 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL921216 0.85 IDO1 (0.51) IDO1HTR6MAOBMAOAL3MBTL1
SCHEMBL920040 0.83 KMT2A (0.44) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL921931 0.83 ABCB1 (0.56) IDO1MAOBHTR1AADRA1DADRA1A
SCHEMBL920164 0.82 ENPP2 (0.52) IDO1HTR6MAOBADRA1D
SCHEMBL3211927 0.81 MAPT (0.50) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL921311 0.79 MRGPRX4 (0.53) HTR6MAOBMRGPRX4FFAR4MAOA
SCHEMBL919103 0.78 DHFR (0.45) IDO1HTR6MAOBHTR1AL3MBTL1
SCHEMBL920470 0.78 ALDH1A1 (0.50) IDO1MAOBHTR1AMAPTNPC1
SCHEMBL18526980 0.77 HTR6 (0.52) IDO1HTR6MAOBMRGPRX4MAOA
SCHEMBL919788 0.75 NPC1 (0.51) IDO1MAOBHTR1AADRA1DADRA1A

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 IDO1 675/4885HTR6 4780/4885MAOB 3730/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 IDO1 236/4885HTR6 4696/4885MAOB 4351/4885

“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.