SCHEMBL6404076

SCHEMBL6404076

COc1ccc(C(=O)NCc2cc(COc3ccccn3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 1/20 0.48
MDM2 Q00987 1/20 0.48
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
CDK5 Q00535 1/20 0.47
PAX8 Q06710 1/20 0.47
CDK5R1 Q15078 1/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPK14 Q16539 1/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
GRM5 P41594 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
SCHEMBL6407567 0.88 KMT2A (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6403186 0.87 KMT2A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6406659 0.86 KMT2A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6402470 0.85 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6405981 0.85 NPC1 (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6404888 0.84 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6409982 0.84 KMT2A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6401570 0.83 KMT2A (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6405537 0.83 NPC1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6405118 0.83 PLK1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 3154/4885NPC1 1915/4885

“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.