SCHEMBL1610754

SCHEMBL1610754

COC(=O)c1nc(C2CC2)nc(N)c1Cl.Clc1ccc(CC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.40
P2RX3 P56373 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
MAPK1 P28482 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RPS6KB1 P23443 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
CHIT1 Q13231 2/20 0.34

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
SCHEMBL29615012 0.84 PDE10A (0.49) KDM4ESMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL121762 0.84 PDE10A (0.49) KDM4ESMN1; SMN2ALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL28163034 0.83 PDE10A (0.47) KDM4ESMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL1609147 0.77 PDE10A (0.50) KDM4ESMN1; SMN2ALDH1A1SLC6A3PDE4B
SCHEMBL1609979 0.75 PDE4B (0.42) KDM4ESMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL1610751 0.74 LTC4S (0.42) KDM4ESMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL1609831 0.73 PDE10A (0.48) PDE4BPDE4DPDE10A
SCHEMBL1535606 0.73 PDE10A (0.49) KDM4EALDH1A1PKML3MBTL1MAPK1
SCHEMBL1609791 0.72 ENPP2 (0.36) SLC6A3PDE4BPDE4DPDE10ARPS6KB1
SCHEMBL1610879 0.72 NOS2 (0.38) P2RX3SLC6A3PDE4BPDE4DPDE10A

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 1 patent. 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

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 PDE8B 2401/4885P2RX3 566/4885KDM4E 2613/4885

“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.