SCHEMBL6402547

SCHEMBL6402547

COc1ccc(C(=O)NCc2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49
KCNH2 Q12809 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL6408618 0.96 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6407778 0.91 HSD17B10 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6404235 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6408049 0.90 NPC1 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6405915 0.89 NPC1 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6402541 0.88 RXFP1 (0.65) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6405888 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6403903 0.85 PPARG (0.55) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL6403049 0.83 MAPT (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6402322 0.82 RAB9A (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 4458/4885NPC1 1915/4885RAB9A 4044/4885

“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.