SCHEMBL6408613

SCHEMBL6408613

O=C(O)N(Cc1cc(-c2cccc(Cl)c2)no1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.55
TP53 P04637 1/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP10 P09238 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 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
SCHEMBL6409336 0.88 NOTUM (0.55) NOTUMNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6403916 0.81 NPC1 (0.50) NOTUMMMP2MMP8MMP12NPC1
SCHEMBL6409980 0.81 RAB9A (0.48) NOTUMTP53NPC1RAB9ASMN1; SMN2
SCHEMBL6408092 0.81 CHRNB2 (0.55) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL27788409 0.78 NOTUM (0.65) NOTUMMMP2MMP3MMP10MMP9
SCHEMBL6402481 0.78 HPGD (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2HPGD
SCHEMBL6434804 0.78 CA12 (0.44) NOTUMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6404913 0.76 ALDH1A1 (0.43) NOTUMTP53NPC1RAB9AL3MBTL1
SCHEMBL1544352 0.75 NOTUM (0.72) NOTUMTP53MMP2MMP3MMP10
SCHEMBL6402371 0.75 CA12 (0.45) TP53NPC1RAB9ASMN1; SMN2HPGD

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 NOTUM 755/4885TP53 4011/4885MMP2 2409/4885

“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.