SCHEMBL1609732

SCHEMBL1609732

CCC(Nc1nc(C2CC2)nc(C(=O)OC)c1Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
TACR3 P29371 2/20 0.37
RPS6KB1 P23443 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
IGF1R P08069 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1609871 0.92 EGFR (0.39) PDE10ARPS6KB1TSHRMAPK1ALDH1A1
SCHEMBL1610144 0.92 EGFR (0.39) PDE10ARPS6KB1TSHRMAPK1ALDH1A1
SCHEMBL1611523 0.92 EGFR (0.39) PDE10ARPS6KB1TSHRMAPK1ALDH1A1
SCHEMBL1609946 0.90 PDE10A (0.37) PDE10AKDM4ETACR3RPS6KB1TSHR
SCHEMBL1611032 0.90 PDE10A (0.43) PDE10AKDM4ETSHRMAPK1ALDH1A1
SCHEMBL1609362 0.87 PDE10A (0.40) PDE10AKDM4ETSHRMAPK1PPARG
SCHEMBL1609887 0.87 PDE10A (0.40) PDE10AKDM4ETSHRMAPK1MAPK14
SCHEMBL1610170 0.86 PDE10A (0.50) PDE10AKDM4EASPHKDM8TSHR
SCHEMBL1608935 0.85 SMN1; SMN2 (0.41) PDE10AKDM4ETSHRMAPK1ALDH1A1
SCHEMBL1609830 0.84 ELANE (0.40) PDE10AKDM4ETACR3TSHRMAPK1

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-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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885KDM4E 2613/4885ASPH 1505/4885

“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.