SCHEMBL921939

SCHEMBL921939

CCCOc1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL921082 0.96 MAPK8 (0.50) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL919973 0.93 ROCK1 (0.57) MAPK8HPGDROCK2CYP3A4CYP2D6
SCHEMBL921194 0.93 HPGD (0.54) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL921759 0.92 HPGD (0.54) MAPK8HPGDLMNASMN1; SMN2ROCK2
SCHEMBL920160 0.92 HPGD (0.56) MAPK8HPGDLMNASMN1; SMN2ROCK2
SCHEMBL920496 0.90 HPGD (0.54) MAPK8HPGDLMNASMN1; SMN2ROCK2
SCHEMBL921271 0.89 HPGD (0.57) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL921059 0.89 ROCK1 (0.61) MAPK8HPGDROCK2CYP3A4CYP2D6
SCHEMBL922146 0.89 LMNA (0.55) MAPK8HPGDLMNASMN1; SMN2TSHR
SCHEMBL919305 0.88 MAPK8 (0.53) MAPK8HPGDLMNASMN1; SMN2KMT2A

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 MAPK8 2313/4885HPGD 1273/4885LMNA 4812/4885

“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.