SCHEMBL920682

SCHEMBL920682

CCCCc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
MAPK14 Q16539 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
STAT3 P40763 1/20 0.41
CHRM4 P08173 2/20 0.41
FLT1 P17948 1/20 0.41
LRRK2 Q5S007 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL921039 0.97 ADORA2A (0.43) ADORA2AADORA1MAPK14SMN1; SMN2HTT
SCHEMBL921458 0.93 ADORA2A (0.45) ADORA2AADORA1MAPK14SMN1; SMN2HTT
SCHEMBL921524 0.93 ADORA2A (0.47) ADORA2AADORA1HPGDKDM4EALDH1A1
SCHEMBL922028 0.91 LMNA (0.51) ADORA2AADORA1SMN1; SMN2LMNAPOLB
SCHEMBL921582 0.91 MMP13 (0.43) MAPK14MMP13CHRM4FLT1LRRK2
SCHEMBL920633 0.90 TRPV1 (0.47) ADORA2AADORA1HPGDKDM4EALDH1A1
SCHEMBL921330 0.89 SPHK1 (0.48) ADORA2AADORA1HPGDKDM4EALDH1A1
SCHEMBL921155 0.89 ADORA2A (0.47) ADORA2AADORA1MAPK14SMN1; SMN2HTT
SCHEMBL921219 0.88 KLKB1 (0.42) MAPK14MMP13CHRM4FLT1LRRK2
SCHEMBL919828 0.88 LIPG (0.43) MAPK14SMN1; SMN2HTTMMP13MMP2

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 ADORA2A 4433/4885ADORA1 3433/4885MAPK14 905/4885

“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.