SCHEMBL920587

SCHEMBL920587

COc1cccc(Oc2cccc(CN)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
TAAR1 Q96RJ0 3/20 0.62
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ST14 Q9Y5Y6 1/20 0.52
AOC3 Q16853 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
LPO P22079 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CMA1 P23946 1/20 0.49

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 SCHEMBL18641293 0.98 MAOB (0.64) MAOBTAAR1IDO1AGXTSMN1; SMN2
SCHEMBL29947713 0.92 TAAR1 (0.71) MAOBTAAR1IDO1AGXTAOC3
SCHEMBL42954 0.92 TAAR1 (0.71) MAOBTAAR1IDO1AGXTAOC3
SCHEMBL921289 0.91 MAOB (0.61) MAOBTAAR1IDO1AGXTSMN1; SMN2
Hydrochloric Acid SCHEMBL1275116 0.90 MAOB (0.72) MAOBTAAR1IDO1AGXTAOC3
Bromide SCHEMBL31513707 0.90 TAAR1 (0.69) MAOBTAAR1IDO1AGXTAOC3
Hydrochloric Acid SCHEMBL18641331 0.89 MAOB (0.62) MAOBTAAR1IDO1AGXTSMN1; SMN2
SCHEMBL920447 0.89 ST14 (0.68) MAOBTAAR1SMN1; SMN2ST14KDM4E
SCHEMBL4949955 0.88 ST14 (0.58) MAOBTAAR1SMN1; SMN2ST14ALDH1A1
SCHEMBL29102430 0.86 TAAR1 (0.86) MAOBTAAR1IDO1AGXTSMN1; SMN2

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
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO 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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO 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 3730/4885TAAR1 2785/4885IDO1 675/4885

“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.