SCHEMBL17430381

SCHEMBL17430381

CCOC(=O)c1nn(C)c(=O)n(-c2ccc(OCCOC)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA1 P30542 1/20 0.40
CASP6 P55212 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL17427363 0.86 RAB9A (0.42) SMN1; SMN2RAB9ANPC1PKML3MBTL1
SCHEMBL14970191 0.81 NPC1 (0.55) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL20503069 0.81 KDM4E (0.55) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL16021998 0.81 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1HPGDHTT
SCHEMBL17430373 0.79 OXTR (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL17430371 0.78 HTT (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL16022006 0.77 POLB (0.39) SMN1; SMN2RAB9ANPC1PKML3MBTL1
SCHEMBL16163687 0.76 MAPT (0.61) SMN1; SMN2RAB9APKML3MBTL1ALDH1A1
SCHEMBL16163479 0.75 MAPT (0.57) SMN1; SMN2PKML3MBTL1ALDH1A1TDP1
SCHEMBL16163911 0.75 MAPT (0.57) SMN1; SMN2PKML3MBTL1ALDH1A1TDP1

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-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 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-20160009693-A1 HERBICIDAL COMPOUNDS DDT, HAX1, CYP4X1 SMN1; SMN2 4026/4885RAB9A 2062/4885NPC1 4146/4885

“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.