SCHEMBL6405096

SCHEMBL6405096

COc1ccc(C(=O)NCc2cc(COc3cccc(C)c3)no2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MMP13 P45452 1/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HAVCR2 Q8TDQ0 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
SCHEMBL6405248 0.93 POLB (0.57) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6405981 0.93 NPC1 (0.57) NPC1RAB9AKMT2AMEN1MMP13
SCHEMBL6407567 0.90 KMT2A (0.55) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6405537 0.90 NPC1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6403186 0.90 KMT2A (0.53) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6408051 0.89 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6403684 0.89 NPC1 (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6410117 0.87 KMT2A (0.52) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6402458 0.87 RAB9A (0.47) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6401570 0.85 KMT2A (0.50) NPC1RAB9AKMT2AMEN1POLB

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.