SCHEMBL1609556

SCHEMBL1609556

COC(=O)c1nc(C2CC2)nc(NCc2ccccc2[N+](=O)[O-])c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
PDE10A Q9Y233 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
PRKCQ Q04759 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL1608875 0.87 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1PDE10A
SCHEMBL1609763 0.86 PDE10A (0.47) MEN1KMT2AALDH1A1PDE10AMAPT
SCHEMBL2681602 0.86 MEN1 (0.47) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL11902749 0.85 ALDH1A1 (0.42) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL11913410 0.85 PRKCQ (0.41) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL1610382 0.85 PDE10A (0.44) KDM4EMEN1KMT2AALDH1A1PDE10A
SCHEMBL1610305 0.85 PDE10A (0.44) KDM4EALDH1A1PDE10AMAPTSMN1; SMN2
SCHEMBL1609068 0.85 PDE10A (0.44) ALDH1A1PDE10APRKCQPDE4APDE4B
SCHEMBL1610277 0.85 PDE10A (0.44) ALDH1A1PDE10APDE4APDE4BPDE4C
SCHEMBL1609781 0.82 ABL1 (0.45) ALDH1A1PDE10APRKCQSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (2 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 KDM4E 2613/4885MEN1 3860/4885KMT2A 2003/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO KDM4E 3599/4885MEN1 4608/4885KMT2A 1798/4885

“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.