SCHEMBL921523

SCHEMBL921523

CCCc1ccc(CNC(=O)c2ccc(C)nc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
ADORA1 P30542 5/20 0.46
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
SORT1 Q99523 1/20 0.43
KLKB1 P03952 2/20 0.41
KLK1 P06870 2/20 0.41
MAPK1 P28482 1/20 0.40
PLK1 P53350 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
SCHEMBL921458 0.93 ADORA2A (0.45) ADORA2AHPGDALDH1A1KDM4ETSHR
SCHEMBL921524 0.92 ADORA2A (0.47) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL920633 0.91 TRPV1 (0.47) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL921330 0.90 SPHK1 (0.48) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL920179 0.88 ALDH1A1 (0.56) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL920682 0.86 ADORA2A (0.44) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL922351 0.86 TSHR (0.45) ADORA2AHPGDALDH1A1KDM4ETSHR
SCHEMBL921039 0.85 ADORA2A (0.43) ADORA2AADORA1PLK1
SCHEMBL920232 0.84 MMP13 (0.44) ADORA2AHPGDALDH1A1KDM4EADORA1
SCHEMBL923298 0.83 ADORA2A (0.53) ADORA2AHPGDALDH1A1KDM4EADORA1

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 4433/4885HPGD 1273/4885ALDH1A1 2743/4885

“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.