SCHEMBL921071

SCHEMBL921071

Nc1ccc(C(=O)NCc2ccccc2F)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.50
ROCK1 Q13464 1/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
MAOB P27338 1/20 0.46
CHRM4 P08173 1/20 0.46
TP53 P04637 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
SCHEMBL921731 0.90 MEN1 (0.51) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL12907917 0.87 KMT2A (0.60) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL1681062 0.83 SCN3A (0.55) MAPTLMNAMAOBTP53
SCHEMBL919894 0.82 HPGD (0.51) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL921483 0.81 LMNA (0.66) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL922493 0.79 KLKB1 (0.52) HPGDALDH1A1ROCK1
SCHEMBL31424194 0.79 HPGD (0.68) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL3623651 0.78 MAOB (0.46) KMT2AMAPTTSHRLMNAMAOB
SCHEMBL13450240 0.76 EPHX2 (0.58) HPGDLMNAROCK1
SCHEMBL22573352 0.74 ADORA2A (0.63) KMT2AMEN1HPGDALDH1A1MAPT

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 5 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
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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO 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 KMT2A 2469/4885MEN1 4723/4885HPGD 1273/4885

“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.