SCHEMBL1610062

SCHEMBL1610062

COC(=O)c1nc(C2CC2)nc(NC2(c3ccc(Cl)cc3)CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
SLC6A3 Q01959 4/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.32
IDO1 P14902 1/20 0.32
PSD A5PKW4 1/20 0.32

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
SCHEMBL1611017 0.88 PDE2A (0.38) PDE2ASLC6A3HDAC3HDAC1HDAC2
SCHEMBL1611006 0.87 PDE10A (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL12712709 0.85 SLC6A3 (0.40) SLC6A3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1610283 0.82 FPR2 (0.35) SLC6A3KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1609780 0.81 ADORA2A (0.40) SLC6A3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1610052 0.81 SLC6A3 (0.38) SLC6A3SMN1; SMN2L3MBTL1CNR1IDO1
SCHEMBL1609935 0.81 SLC6A3 (0.35) SLC6A3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL1609934 0.81 SLC6A3 (0.35) SLC6A3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL1609147 0.78 PDE10A (0.50) SLC6A3KDM4EALDH1A1SMN1; SMN2PDE4B
SCHEMBL1609803 0.77 PDE10A (0.50) PDE2ASLC6A3KDM4EALDH1A1PKM

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 PDE2A 1196/4885SLC6A3 2437/4885HDAC3 3068/4885

“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.