SCHEMBL6406563

SCHEMBL6406563

COc1ccc(C(=O)NCc2cc(-c3ccc(OC(F)(F)F)cc3)no2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
CYP1A2 P05177 1/20 0.65
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
HPGD P15428 2/20 0.58
MAPT P10636 2/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDM1A O60341 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EPHX2 P34913 2/20 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
SCHEMBL6402396 0.91 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407422 0.89 MAPK14 (0.53) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6409330 0.87 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6408073 0.87 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407762 0.87 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407606 0.87 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402577 0.86 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6405896 0.86 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6404351 0.80 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402448 0.80 SMN1; SMN2 (0.60) 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.