SCHEMBL721626

SCHEMBL721626

C=Cc1c(N)nc(C2CC2)nc1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4D Q08499 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HPGD P15428 2/20 0.30
SLC6A3 Q01959 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1917444 0.86 ALDH1A1 (0.43) NPSR1PDE10AKDM4EALDH1A1GAA
SCHEMBL720488 0.85 NPSR1 (0.36) NPSR1PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL720187 0.85 NPSR1 (0.36) NPSR1PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL721806 0.85 NPSR1 (0.36) NPSR1PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL720186 0.85 NPSR1 (0.36) NPSR1PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12338401 0.84 PDE10A (0.38) PDE10A
SCHEMBL717342 0.84 NPSR1 (0.35) NPSR1SMN1; SMN2
SCHEMBL719675 0.83 NPSR1 (0.37) NPSR1PDE4DTSHRMAPK1SLC6A3
SCHEMBL717764 0.83 NPSR1 (0.34) NPSR1PDE10A
SCHEMBL717763 0.83 NPSR1 (0.34) NPSR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP NPSR1 3040/4885PDE10A 1953/4885KDM4E 2202/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG NPSR1 1800/4885PDE10A 2162/4885KDM4E 2202/4885

“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.