SCHEMBL16022009

SCHEMBL16022009

COCCOc1ccc(-n2c(=O)c(C(=O)O)nn(C)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR3C1 P04150 1/20 0.38
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37

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 0.90 RAB9A (0.42) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL17430381 0.86 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2PKML3MBTL1
SCHEMBL16022006 0.81 POLB (0.39) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL14966907 0.76 KMT2A (0.49) TP53NPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL27981461 0.72 MAPT (0.43) TP53RAB9APKMALDH1A1NR4A1
SCHEMBL15569454 0.70 MEN1 (0.41) TP53RAB9APKMALDH1A1POLB
SCHEMBL2741522 0.67 PKM (0.72) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL16021998 0.67 ALDH1A1 (0.54) TP53RAB9ANPC1ALDH1A1CYP2C19
SCHEMBL9019628 0.67 RARB (0.68) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL13448825 0.67 RARB (0.68) TP53RAB9ANPC1SMN1; SMN2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
WO-2014135654-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-09-12 WO 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 TP53 3632/4885RAB9A 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.