SCHEMBL6405066

SCHEMBL6405066

COc1ccc(C(=O)NCc2cc(COc3c(F)cccc3F)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 6/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6406568 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1HTTMAPK1
SCHEMBL6410117 0.89 KMT2A (0.52) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL6403186 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL6408051 0.87 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL6405981 0.87 NPC1 (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6408013 0.87 POLB (0.49) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL6407567 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL6405096 0.84 NPC1 (0.50) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL6409982 0.84 KMT2A (0.53) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL6406659 0.84 KMT2A (0.53) KMT2AMEN1ALDH1A1HTTPOLB

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 3154/4885ALDH1A1 1486/4885

“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.