SCHEMBL6403479

SCHEMBL6403479

COc1ccc(C(=O)NCc2cc(COc3ccccc3C#N)no2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPK14 Q16539 4/20 0.50
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6406659 0.88 KMT2A (0.53) NPC1RAB9ACYP3A4KMT2AMEN1
SCHEMBL6404888 0.87 KMT2A (0.51) NPC1RAB9AMAPK14KMT2AMEN1
SCHEMBL6410556 0.85 RAB9A (0.47) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6410589 0.85 KMT2A (0.49) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6407567 0.84 KMT2A (0.55) NPC1RAB9ACYP3A4KMT2AMEN1
SCHEMBL6403186 0.84 KMT2A (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6406568 0.84 KMT2A (0.49) NPC1RAB9AKMT2AMEN1SLC5A7
SCHEMBL6402458 0.83 RAB9A (0.47) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6405167 0.82 RAB9A (0.50) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6405981 0.81 NPC1 (0.57) NPC1RAB9ACYP3A4KMT2AMEN1

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 NPC1 1915/4885RAB9A 4044/4885MAPK14 2923/4885

“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.