SCHEMBL919972

SCHEMBL919972

Cc1ccc(C(=O)NCc2ccc(Oc3ccc(I)cc3)cc2)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
MAPK14 Q16539 2/20 0.44
MMP13 P45452 2/20 0.44
CYP3A4 P08684 2/20 0.44
MMP2 P08253 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM4 P08173 2/20 0.43
FLT1 P17948 1/20 0.43
LRRK2 Q5S007 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL920695 0.91 MAPK14 (0.55) ADORA2AADORA1MAPK14MMP13CYP3A4
SCHEMBL921286 0.89 ADORA2A (0.57) ADORA2AADORA1CYP3A4HTTSMN1; SMN2
SCHEMBL921155 0.89 ADORA2A (0.47) ADORA2AADORA1MAPK14MMP13CYP3A4
SCHEMBL919964 0.89 MAPK14 (0.57) ADORA2AADORA1MAPK14MMP13CYP3A4
SCHEMBL921891 0.89 MAPK14 (0.45) ADORA2AADORA1MAPK14MMP13CYP3A4
SCHEMBL919826 0.89 MMP13 (0.48) MAPK14MMP13CHRM4HPGDALDH1A1
SCHEMBL921033 0.88 ADORA2A (0.53) ADORA2AADORA1MAPK14CYP3A4HTT
SCHEMBL920459 0.88 LIPG (0.55) ADORA2AADORA1MAPK14CYP3A4HTT
SCHEMBL922074 0.88 ADORA2A (0.46) ADORA2AADORA1MAPK14MMP13CYP3A4
SCHEMBL920312 0.87 HPGD (0.50) ADORA2AADORA1MAPK14MMP13CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.