SCHEMBL6410047

SCHEMBL6410047

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
SLC5A7 Q9GZV3 10/20 0.58
KMT2A Q03164 2/20 0.56
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRA5 P31644 1/20 0.51

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
SCHEMBL6406625 0.90 KMT2A (0.53) RAB9ASMN1; SMN2LMNASLC5A7KMT2A
SCHEMBL6406621 0.89 KMT2A (0.55) RAB9ASMN1; SMN2LMNASLC5A7KMT2A
SCHEMBL6403921 0.88 KMT2A (0.54) RAB9ASMN1; SMN2LMNASLC5A7KMT2A
SCHEMBL6402513 0.88 KMT2A (0.51) RAB9ASMN1; SMN2LMNASLC5A7KMT2A
SCHEMBL6403886 0.86 SLC5A7 (0.53) RAB9ASMN1; SMN2SLC5A7NPC1GABRA5
SCHEMBL6404881 0.85 SLC5A7 (0.59) RAB9ASMN1; SMN2SLC5A7NPC1GABRA5
SCHEMBL6402322 0.84 RAB9A (0.59) RAB9ASMN1; SMN2LMNAKMT2ANPC1
SCHEMBL6404219 0.84 ALDH1A1 (0.58) RAB9ASMN1; SMN2LMNAKMT2ANPC1
SCHEMBL6408035 0.83 KMT2A (0.51) RAB9ASMN1; SMN2LMNASLC5A7KMT2A
SCHEMBL6407570 0.82 RAB9A (0.59) RAB9ASMN1; SMN2LMNAKMT2ANPC1

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 4044/4885SMN1; SMN2 4458/4885LMNA 3019/4885

“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.