SCHEMBL921273

SCHEMBL921273

COc1cccc(Sc2ccc(CN)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TAAR1 Q96RJ0 3/20 0.49
PTGIR P43119 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
DHFR P00374 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A4 P31645 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
SCHEMBL6540989 0.89 MAOB (0.61) MAOBMTNR1AMTNR1BTAAR1PTGIR
Hydrochloric Acid SCHEMBL18641306 0.89 MAOB (0.55) MAOBMTNR1AMTNR1BTAAR1IDO1
SCHEMBL10709610 0.88 MTNR1A (0.57) MTNR1AMTNR1BPTGIRSIRT2IDO1
SCHEMBL4807058 0.85 HTR2C (0.50) MAOBMTNR1AMTNR1BTAAR1PTGIR
SCHEMBL921423 0.84 MAOB (0.59) MAOBTAAR1PTGIRIDO1AGXT
SCHEMBL9770219 0.84 HTR2C (0.55) MTNR1AMTNR1BPTGIRSIRT2IDO1
Hydrochloric Acid SCHEMBL18641301 0.84 MAOB (0.50) MAOBMTNR1AMTNR1BTAAR1PTGIR
SCHEMBL31425668 0.84 ACHE (0.54) MTNR1AMTNR1BPTGIRIDO1DHFR
SCHEMBL3164341 0.84 ACHE (0.54) MTNR1AMTNR1BPTGIRIDO1DHFR
SCHEMBL13163776 0.82 EDNRA (0.54) MAOBMTNR1AMTNR1BPTGIRIDO1

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 6 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
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-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
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 MAOB 3730/4885MTNR1A 1569/4885MTNR1B 1601/4885

“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.