SCHEMBL6408073

SCHEMBL6408073

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
CYP1A2 P05177 1/20 0.68
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
NPC1 O15118 1/20 0.60
EPHX2 P34913 1/20 0.60
RAB9A P51151 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 4/20 0.56
RXFP1 Q9HBX9 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
KDM1A O60341 1/20 0.51
HDAC1 Q13547 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
SCHEMBL6402396 0.93 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6407762 0.89 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6407606 0.89 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6402577 0.88 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6405896 0.88 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6406563 0.87 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6409330 0.87 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6407394 0.86 LMNA (0.56) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6410571 0.83 NPC1 (0.56) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL6402448 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT

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.