SCHEMBL6402322

SCHEMBL6402322

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.59
NPC1 O15118 12/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
TP53 P04637 3/20 0.59
HPGD P15428 2/20 0.59
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 0.86 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6408650 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL6410047 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6410111 0.84 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6405212 0.83 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6408049 0.83 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL6404219 0.83 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6408035 0.82 KMT2A (0.51) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6402530 0.82 KMT2A (0.54) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL6402547 0.82 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2TP53HPGD

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

“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.