SCHEMBL6403173

SCHEMBL6403173

CC(C)Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PPARA Q07869 2/20 0.46
EPHX2 P34913 2/20 0.46
PPARG P37231 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC4 P56524 1/20 0.45
PPARD Q03181 2/20 0.44
LSS P48449 1/20 0.44
MLYCD O95822 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL6404261 0.87 TDP1 (0.50) NPC1RAB9ASMN1; SMN2SLC5A7POLB
SCHEMBL6403020 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SLC5A7POLB
SCHEMBL6405222 0.86 SMN1; SMN2 (0.59) NPC1RAB9AEPHX2PPARGSMN1; SMN2
SCHEMBL6409358 0.85 RAB9A (0.53) NPC1RAB9AEPHX2SMN1; SMN2SLC5A7
SCHEMBL6407783 0.84 MLYCD (0.45) EPHX2SMN1; SMN2HDAC4LSSMLYCD
SCHEMBL6408035 0.84 KMT2A (0.51) NPC1RAB9AEPHX2PPARGSMN1; SMN2
SCHEMBL6402555 0.81 HPGD (0.55) NPC1RAB9AEPHX2SMN1; SMN2HDAC4
SCHEMBL6404311 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HDAC4SLC5A7
SCHEMBL18031837 0.77 POLB (0.50) NPC1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL6407566 0.77 RAB9A (0.46) NPC1RAB9AEPHX2SMN1; 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 NPC1 1915/4885RAB9A 4044/4885PPARA 2502/4885

“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.