SCHEMBL6405896

SCHEMBL6405896

COc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.69
CYP1A2 P05177 1/20 0.69
ALDH1A1 P00352 5/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 1/20 0.65
HPGD P15428 2/20 0.62
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL6402577 0.95 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402396 0.94 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407606 0.90 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6407762 0.90 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402991 0.89 MAPT (0.56) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6408073 0.88 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6409330 0.88 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6403149 0.87 NPC1 (0.57) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6402999 0.86 MAPT (0.58) SMN1; SMN2CYP1A2ALDH1A1HTTLMNA
SCHEMBL6406563 0.86 SMN1; SMN2 (0.65) 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.