SCHEMBL6407778

SCHEMBL6407778

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
HPGD P15428 3/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 5/20 0.52
TP53 P04637 3/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
ALOX15 P16050 1/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49

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) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6402547 0.91 SMN1; SMN2 (0.57) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6404235 0.90 SMN1; SMN2 (0.56) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6408049 0.90 NPC1 (0.55) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6402541 0.88 RXFP1 (0.65) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6405888 0.88 SMN1; SMN2 (0.53) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6410519 0.86 NPC1 (0.59) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6405915 0.84 NPC1 (0.64) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6407606 0.82 SMN1; SMN2 (0.71) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6407762 0.82 SMN1; SMN2 (0.71) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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 HSD17B10 191/4885HPGD 3244/4885NPC1 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.