SCHEMBL920932

SCHEMBL920932

Cc1cccc(Sc2ccc(C#N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.63
MAOB P27338 7/20 0.63
ALDH1A1 P00352 1/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.43
AR P10275 1/20 0.41
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR1A P08908 2/20 0.39
HTR3A P46098 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MCL1 Q07820 1/20 0.39
CFTR P13569 1/20 0.39
DHFR P00374 1/20 0.38
MGLL Q99685 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
SCHEMBL10710202 0.84 ACHE (0.52) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL11125164 0.81 ACHE (0.48) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL31038384 0.81 ACHE (0.48) ALDH1A1MAPTL3MBTL1IDO1HTR2C
SCHEMBL14378075 0.81 CYP2A6 (0.73) MAOAMAOBALDH1A1CYP2A6KDM4E
SCHEMBL822376 0.81 ACHE (0.48) ALDH1A1MAPTL3MBTL1IDO1HTR2C
M-Xylene SCHEMBL28366327 0.80 CYP2A6 (0.64) MAOAMAOBALDH1A1CYP2A6IDO1
SCHEMBL575896 0.80 ACHE (0.58) ALDH1A1KDM4EMAPTL3MBTL1IDO1
SCHEMBL29543680 0.80 ACHE (0.58) ALDH1A1KDM4EMAPTL3MBTL1IDO1
SCHEMBL29468631 0.80 ACHE (0.58) ALDH1A1KDM4EMAPTL3MBTL1IDO1
SCHEMBL30015349 0.79 MAOB (0.67) MAOAMAOBMCL1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAOA 3447/4885MAOB 3730/4885ALDH1A1 2743/4885

“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.