SCHEMBL6402991

SCHEMBL6402991

COc1ccc(C(=O)NCc2cc(-c3nc(-c4ccccc4)no3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
S1PR1 P21453 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
HAVCR2 Q8TDQ0 2/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL6405896 0.89 SMN1; SMN2 (0.69) MAPTSMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL6402577 0.85 SMN1; SMN2 (0.72) MAPTSMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL6402396 0.84 SMN1; SMN2 (0.77) MAPTSMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL6407762 0.80 SMN1; SMN2 (0.71) MAPTSMN1; SMN2TP53CYP1A2ALDH1A1
SCHEMBL6407606 0.80 SMN1; SMN2 (0.71) MAPTSMN1; SMN2TP53CYP1A2ALDH1A1
SCHEMBL6404207 0.79 KMT2A (0.59) SMN1; SMN2TP53CYP1A2ALDH1A1HTT
SCHEMBL6405972 0.79 ALDH1A1 (0.65) MAPTSMN1; SMN2CYP1A2ALDH1A1HTT
SCHEMBL6408049 0.79 NPC1 (0.55) MAPTSMN1; SMN2TSHRALDH1A1HTT
SCHEMBL6403524 0.79 KMT2A (0.68) MAPTSMN1; SMN2TP53CYP1A2ALDH1A1
SCHEMBL6402530 0.78 KMT2A (0.54) SMN1; SMN2CYP1A2ALDH1A1HTTHSD17B10

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 MAPT 4543/4885SMN1; SMN2 4458/4885TSHR 705/4885

“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.