SCHEMBL921219

SCHEMBL921219

CCCCCc1cccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.42
KLK1 P06870 1/20 0.42
MMP13 P45452 1/20 0.42
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
PPARD Q03181 3/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK14 Q16539 1/20 0.41
CHRM4 P08173 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
CETP P11597 1/20 0.40
FLT1 P17948 1/20 0.40
LRRK2 Q5S007 1/20 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
SCHEMBL921582 0.97 MMP13 (0.43) KLKB1KLK1MMP13PPARGPPARA
SCHEMBL920232 0.93 MMP13 (0.44) KLKB1KLK1MMP13PPARGPPARA
SCHEMBL921039 0.91 ADORA2A (0.43) MMP13MAPK14CHRM4TRPV1FLT1
SCHEMBL920899 0.90 PPARG (0.41) MMP13PPARGPPARAPPARDKDM4E
SCHEMBL919767 0.89 MMP13 (0.46) KLKB1KLK1MMP13PPARGPPARA
SCHEMBL923423 0.89 TP53 (0.46) KLKB1KLK1USP2MAPK14
SCHEMBL920682 0.88 ADORA2A (0.44) MMP13KDM4EALDH1A1HPGDMAPK14
SCHEMBL919883 0.88 KDM4E (0.41) MMP13PPARGPPARAPPARDKDM4E
SCHEMBL923252 0.87 KDM4E (0.46) KLKB1KLK1KDM4EUSP2ALDH1A1
SCHEMBL920551 0.87 PPARG (0.42) MMP13PPARGPPARAPPARDKDM4E

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 KLKB1 4691/4885KLK1 3727/4885MMP13 4062/4885

“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.