SCHEMBL1610893

SCHEMBL1610893

COC(=O)c1nc(C2CC2)nc(NCC(C)(F)c2cccc(Cl)c2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
PDE4D Q08499 4/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
CBLB Q13191 1/20 0.35
CNR2 P34972 2/20 0.35
SLC6A3 Q01959 3/20 0.34
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.33
USP9X Q93008 1/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL1608948 0.94 KMT2A (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTP2RX3
SCHEMBL12713056 0.93 CBLB (0.36) PDE4BPDE4DCBLBSLC6A3PDE10A
SCHEMBL1609505 0.87 SLC6A3 (0.41) MRGPRX4CNR2SLC6A3PDE10AALDH1A1
SCHEMBL12712720 0.81 PDE10A (0.49) PDE4BPDE4DPDE10A
SCHEMBL1609822 0.81 PDE10A (0.45) CNR2PDE10AKDM4E
SCHEMBL1610357 0.78 HCRTR1 (0.37) MAPTP2RX3
SCHEMBL1610111 0.78 SLC6A3 (0.38) MRGPRX4CNR2SLC6A3PDE10AALDH1A1
SCHEMBL1609781 0.77 ABL1 (0.45) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609687 0.77 PDE10A (0.45) PDE4BPDE4DSLC6A3PDE10AALDH1A1
SCHEMBL1609710 0.77 PDE10A (0.47) PDE4BPDE4DPDE10A

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 PDE4B 1132/4885PDE4D 2126/4885MRGPRX4 4302/4885

“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.