SCHEMBL16022013

SCHEMBL16022013

CC(Cl)c1ccc(-n2c(=O)c(C(=O)O)nn(C)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STAT1 P42224 2/20 0.33
MAPT P10636 2/20 0.32
NPBWR1 P48145 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL14877428 0.83 TP53 (0.44) TP53ALDH1A1POLBALKBH5SMN1; SMN2
SCHEMBL248654 0.81 GSK3A (0.47) TP53ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL14966907 0.80 KMT2A (0.49) TP53POLBSMN1; SMN2NPC1L3MBTL1
SCHEMBL16022011 0.78 POLB (0.43) ALDH1A1POLBHTTKDM4ELMNA
SCHEMBL14877423 0.73 GSK3A (0.44) ALDH1A1POLBHTTSMN1; SMN2NPC1
SCHEMBL16022009 0.72 TP53 (0.48) TP53ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL19377596 0.70 ALDH1A1 (0.46) TP53ALDH1A1POLBHTTRAB9A
SCHEMBL14969120 0.70 MET (0.48) TP53ALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL16140893 0.69
SCHEMBL17427411 0.68 POLB (0.45) TP53ALDH1A1POLBHTTALKBH5

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 3632/4885ALDH1A1 79/4885POLB 4093/4885

“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.