SCHEMBL6403886

SCHEMBL6403886

Cc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 10/20 0.53
GABRA5 P31644 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 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
SCHEMBL6404881 0.88 SLC5A7 (0.59) SLC5A7GABRA5NPC1RAB9AEPHX2
SCHEMBL6410047 0.86 RAB9A (0.59) SLC5A7GABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL6404261 0.82 TDP1 (0.50) SLC5A7NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6402251 0.81 NPC1 (0.54) SLC5A7GABRA5NPC1RAB9AEPHX2
SCHEMBL6403819 0.81 TDP1 (0.52) NPC1RAB9ATDP1SMN1; SMN2MAPT
SCHEMBL6407970 0.80 POLB (0.59) NPC1RAB9ATDP1SMN1; SMN2MAPT
SCHEMBL6409368 0.79 TDP1 (0.52) SLC5A7NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6403578 0.78 EPHX2 (0.54) NPC1RAB9ATDP1EPHX2SMN1; SMN2
SCHEMBL6403880 0.78 TDP1 (0.51) NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6403149 0.77 NPC1 (0.57) NPC1RAB9ATDP1SMN1; SMN2MAPT

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 SLC5A7 3816/4885GABRA5 415/4885NPC1 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.