SCHEMBL6408047

SCHEMBL6408047

COc1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3F)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.48
EPHX2 P34913 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 3/20 0.45
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6406602 0.95 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402396 0.84 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402397 0.83 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6405972 0.82 ALDH1A1 (0.65) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6405896 0.81 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407606 0.80 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407762 0.80 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6404219 0.79 ALDH1A1 (0.58) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6406563 0.79 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402577 0.79 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA

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 SMN1; SMN2 4458/4885CYP1A2 3/4885ALDH1A1 1486/4885

“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.