SCHEMBL921330

SCHEMBL921330

CCCCCCc1ccc(CNC(=O)c2ccc(C)nc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
PLK1 P53350 5/20 0.46
TRPV1 Q8NER1 1/20 0.46
ADORA2A P29274 2/20 0.46
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR2 O95136 3/20 0.43
KLKB1 P03952 1/20 0.43
LPAR2 Q9HBW0 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR5 Q9H228 1/20 0.43
RARB P10826 1/20 0.43
ADORA1 P30542 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL920633 0.99 TRPV1 (0.47) SPHK1PLK1TRPV1ADORA2AS1PR1
SCHEMBL921524 0.95 ADORA2A (0.47) SPHK1PLK1TRPV1ADORA2AKLKB1
SCHEMBL921039 0.92 ADORA2A (0.43) SPHK1PLK1TRPV1ADORA2AADORA1
SCHEMBL921523 0.90 ADORA2A (0.49) PLK1ADORA2AKLKB1ADORA1KDM4E
SCHEMBL920682 0.89 ADORA2A (0.44) ADORA2AS1PR1S1PR3ADORA1KDM4E
SCHEMBL923252 0.87 KDM4E (0.46) TRPV1ADORA2AKLKB1ADORA1KDM4E
SCHEMBL922911 0.87 SPHK1 (0.47) SPHK1PLK1TRPV1S1PR1S1PR3
SCHEMBL27824637 0.86 SPHK1 (0.52) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL27803792 0.86 SPHK1 (0.52) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL920711 0.86 TRPV1 (0.46) SPHK1PLK1TRPV1S1PR1S1PR3

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 SPHK1 1673/4885PLK1 4069/4885TRPV1 2237/4885

“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.