SCHEMBL1610652

SCHEMBL1610652

COC(=O)c1nc(-c2ccc(Cl)s2)nc(NC2CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.37
PDE4D Q08499 6/20 0.37
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTT P42858 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL1610447 0.80 KDM4E (0.43) NFKB1NFKB2RELAALDH1A1RAB9A
SCHEMBL1948840 0.78 KDM4E (0.43) PDE4BPDE4DHTTALDH1A1RAB9A
SCHEMBL1609288 0.76 NPSR1 (0.40) LRRK2KMT2A
SCHEMBL1609321 0.74 USP2 (0.44) HTTALDH1A1RAB9AKDM4EPKM
SCHEMBL1610047 0.73 PDE10A (0.49) PDE4BPDE4D
SCHEMBL2684152 0.70 TAS1R3 (0.36) LRRK2MEN1KMT2AHSP90AA1
SCHEMBL1610199 0.69 PDE10A (0.53) PDE4BPDE4D
SCHEMBL2466251 0.69 KDM4E (0.44) HTTALDH1A1RAB9AKDM4EPKM
SCHEMBL1610275 0.69 PDE10A (0.57) PDE4BPDE4D
SCHEMBL1948263 0.69 KDM4E (0.43) PDE4BALDH1A1RAB9AKDM4EPKM

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 2126/4885FOS 1848/4885

“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.