SCHEMBL921582

SCHEMBL921582

CCCCc1cccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 9/20 0.42
PPARA Q07869 9/20 0.42
PPARD Q03181 8/20 0.42
MAPK14 Q16539 1/20 0.42
CHRM4 P08173 3/20 0.41
FLT1 P17948 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CYP2D6 P10635 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 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
SCHEMBL921219 0.97 KLKB1 (0.42) MMP13KLKB1KLK1KDM4EUSP2
SCHEMBL920232 0.94 MMP13 (0.44) MMP13KLKB1KLK1KDM4EUSP2
SCHEMBL920682 0.91 ADORA2A (0.44) MMP13KDM4EALDH1A1HPGDMAPK14
SCHEMBL919767 0.90 MMP13 (0.46) MMP13KLKB1KLK1KDM4EUSP2
SCHEMBL920551 0.90 PPARG (0.42) MMP13KDM4EUSP2ALDH1A1HPGD
SCHEMBL923423 0.90 TP53 (0.46) KLKB1KLK1USP2MAPK14
SCHEMBL921039 0.88 ADORA2A (0.43) MMP13MAPK14CHRM4FLT1LRRK2
SCHEMBL919230 0.88 MMP13 (0.42) MMP13KLKB1KLK1KDM4EUSP2
SCHEMBL27824726 0.88 MTNR1A (0.44)
SCHEMBL921880 0.88 PPARG (0.46) MMP13KLKB1KLK1KDM4EUSP2

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

“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.