SCHEMBL6402358

SCHEMBL6402358

O=C(COc1ccccc1)NCc1cc(CCl)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HPGD P15428 2/20 0.53
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6409950 0.81 RAB9A (0.50) KMT2AHPGDERCC1ERCC4SMN1; SMN2
SCHEMBL6408138 0.80 SMN1; SMN2 (0.55) KMT2AHPGDERCC1ERCC4SMN1; SMN2
SCHEMBL6407737 0.78 HDAC6 (0.49) KMT2AHPGDERCC1ERCC4SMN1; SMN2
SCHEMBL6404146 0.77 EPHX2 (0.43) KMT2ASMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL6407803 0.76 RAB9A (0.50) KMT2AHPGDSMN1; SMN2HTTMEN1
SCHEMBL6409927 0.76 NPC1 (0.45) KMT2AHPGDSMN1; SMN2HTTMEN1
SCHEMBL6405928 0.75 MAPK1 (0.52) KMT2AHPGDSMN1; SMN2HTTMEN1
SCHEMBL6408033 0.74 NPC1 (0.52) KMT2ASMN1; SMN2HTTMEN1TSHR
SCHEMBL6408111 0.74 SMN1; SMN2 (0.41) KMT2AHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL6409350 0.74 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2HTTMEN1ALDH1A1

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 KMT2A 986/4885HPGD 3244/4885ERCC1 3109/4885

“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.