SCHEMBL1610037

SCHEMBL1610037

COC(=O)c1nc(C2CC2)nc(N(C)CCc2ccccn2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 9/20 0.41
NAPEPLD Q6IQ20 1/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL1609217 0.86 CHRM3 (0.41) PDE10ANAPEPLD
SCHEMBL1610745 0.81 TRPM8 (0.35) ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL1608939 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PDE10AHSD11B1KDM4E
SCHEMBL1609694 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2PDE10AKDM4EPOLB
SCHEMBL1610743 0.78 KCNA5 (0.49) ALDH1A1PDE10AKDM4E
SCHEMBL1609728 0.77 PDE10A (0.42) ALDH1A1PDE10AKDM4EMEN1KMT2A
SCHEMBL1610224 0.77 SLC6A3 (0.40) ALDH1A1SMN1; SMN2PDE10AKDM4EPOLB
SCHEMBL1610143 0.77 KDM4E (0.38) ALDH1A1SMN1; SMN2PDE10AKDM4EMEN1
SCHEMBL12713240 0.77 CHRM3 (0.39) ALDH1A1SMN1; SMN2PDE10AKDM4EHTT
SCHEMBL1608823 0.76 PDE10A (0.45) ALDH1A1PDE10AKDM4EPIK3CDHSP90AA1

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 4 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
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 (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 ALDH1A1 1562/4885SMN1; SMN2 2654/4885PDE10A 1704/4885

“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.