SCHEMBL23309724

SCHEMBL23309724

CC(NC(=O)c1cc(F)nc(F)c1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ TACR3 P29371 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL23309646 0.87 ALDH1A1 (0.49) GAAALDH1A1HPGDCNR1THRB
SCHEMBL23309543 0.82 TACR3 (0.54) TACR3ROCK2ROCK1
SCHEMBL30341569 0.82 TACR3 (0.54) TACR3ROCK2ROCK1
SCHEMBL23309580 0.81 KLKB1 (0.41) GAAALDH1A1HPGDLMNANPC1
SCHEMBL23309644 0.76 MEN1 (0.56) GAAALDH1A1LMNAPOLBL3MBTL1
SCHEMBL23309490 0.76 GAA (0.51) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL23309501 0.75 FADS1 (0.56) KMT2A
SCHEMBL16684531 0.75 ALDH1A1 (0.69) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL8486827 0.75 ALDH1A1 (0.68) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL23309726 0.74 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10NPC1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 — — US 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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL GAA 75/4885ALDH1A1 2033/4885KDM4E 3438/4885

“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.

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