SCHEMBL922072

SCHEMBL922072

CCOc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KLKB1 P03952 3/20 0.52
KLK1 P06870 3/20 0.52
LMNA P02545 3/20 0.49
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
RXFP1 Q9HBX9 3/20 0.47
TP53 P04637 2/20 0.47
HDAC1 Q13547 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
XDH P47989 1/20 0.44

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
SCHEMBL919549 0.92 KLKB1 (0.52) POLBKLKB1KLK1LMNARXFP1
SCHEMBL920746 0.91 SMN1; SMN2 (0.46) POLBKLKB1KLK1LMNATP53
SCHEMBL922028 0.91 LMNA (0.51) POLBKLKB1KLK1LMNATP53
SCHEMBL921155 0.91 ADORA2A (0.47) POLBTP53HPGDSMN1; SMN2KDM4E
SCHEMBL920695 0.90 MAPK14 (0.55) RXFP1HPGDSMN1; SMN2KDM4EADORA2A
SCHEMBL921458 0.89 ADORA2A (0.45) POLBKLKB1KLK1HPGDSMN1; SMN2
SCHEMBL921286 0.88 ADORA2A (0.57) POLBKLKB1LMNARXFP1HPGD
SCHEMBL919964 0.88 MAPK14 (0.57) KLKB1KLK1LMNAEPHX2HPGD
SCHEMBL921942 0.88 HPGD (0.46) POLBKLKB1KLK1LMNARXFP1
SCHEMBL921032 0.88 POLB (0.51) POLBKLKB1KLK1LMNAEPHX2

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 POLB 4159/4885KLKB1 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.