SCHEMBL6402470

SCHEMBL6402470

COc1ccc(C(=O)NCc2cc(COc3ccncc3)no2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 4/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
ROCK2 O75116 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PRKACA P17612 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
ROCK1 Q13464 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL6403186 0.94 KMT2A (0.53) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6405118 0.90 PLK1 (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6405537 0.90 NPC1 (0.54) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6405167 0.90 RAB9A (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6407567 0.90 KMT2A (0.55) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6401570 0.90 KMT2A (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6408013 0.89 POLB (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6407498 0.88 GAA (0.57) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6410556 0.88 RAB9A (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6405981 0.87 NPC1 (0.57) KMT2AMEN1LMNANPC1RAB9A

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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 KMT2A 986/4885MEN1 3154/4885LMNA 3019/4885

“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.