SCHEMBL12377620

SCHEMBL12377620

C#CCOc1c(F)cc(C(C)=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.38
MAOA P21397 4/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
CA5A P35218 1/20 0.34
PYCR1 P32322 1/20 0.34
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL12799728 0.88 LMNA (0.45) MAOBHTT
SCHEMBL2287267 0.85 NPC1 (0.40) MAOBMAOAPOLBMAPTNPC1
SCHEMBL2288990 0.84 KDM4E (0.43) MAOBMAOAPOLBMAPTNPC1
SCHEMBL2285882 0.83 NPC1 (0.35) MAOBMAOAPOLBMAPTNPC1
SCHEMBL2287363 0.83 NPC1 (0.46) MAOBMAOAMAPTNPC1KAT6A
Hydrochloric Acid SCHEMBL4246132 0.83 NPC1 (0.39) MAOBMAOAPOLBMAPTNPC1
SCHEMBL3291059 0.80 MAOB (0.43) MAOBNPSR1
SCHEMBL12799708 0.80 MAOB (0.44) MAOBMAOAPOLBMAPTHTT
SCHEMBL12799697 0.79 LMNA (0.51) MAOBHTT
SCHEMBL3306956 0.77 CYP2C9 (0.39) MAOB

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
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 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 (3 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA MAOB 1787/4885MAOA 1497/4885POLB 2260/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 MAOB 808/4885MAOA 507/4885POLB 4554/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA MAOB 2124/4885MAOA 1877/4885POLB 2476/4885

“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.