SCHEMBL6405915

SCHEMBL6405915

COc1ccc(C(=O)NCc2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 5/20 0.60
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 4/20 0.57
TP53 P04637 4/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 7/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL6408049 0.89 NPC1 (0.55) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL6402547 0.89 SMN1; SMN2 (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6408618 0.88 SMN1; SMN2 (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6407778 0.84 HSD17B10 (0.62) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL6404235 0.83 SMN1; SMN2 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6403049 0.82 MAPT (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3788426 0.81 NPC1 (0.76) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL6405888 0.81 SMN1; SMN2 (0.53) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL6402541 0.81 RXFP1 (0.65) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6403903 0.80 PPARG (0.55) NPC1RAB9AKMT2AMAPTMAPK1

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 4044/4885KMT2A 986/4885

“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.