SCHEMBL1609853

SCHEMBL1609853

COC(=O)c1nc(C2CC2)nc(NCC(O)c2ccc(O)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR1A P08908 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PDE10A Q9Y233 12/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL1610436 0.91 PDE10A (0.42) ALDH1A1SMN1; SMN2KDM4EPDE10AHSD17B10
SCHEMBL1610368 0.88 HIF1A (0.40) ALDH1A1SMN1; SMN2HTR1ABLMKDM4E
SCHEMBL1610314 0.83 PDE10A (0.44) ALDH1A1SMN1; SMN2PDE10AHSD17B10
SCHEMBL1609696 0.82 P2RX3 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP2C9PDE10A
SCHEMBL1609226 0.82 PDE10A (0.38) HIF1APDE10AADRB2ADRB1ADRB3
SCHEMBL1609438 0.80 PDE10A (0.42) ALDH1A1SMN1; SMN2TAAR1PDE10AHSD17B10
SCHEMBL1610256 0.80 PDE10A (0.34) ALDH1A1SMN1; SMN2PDE10AHSD17B10
SCHEMBL1613172 0.79 PDE10A (0.47) ALDH1A1SMN1; SMN2PDE10A
SCHEMBL1610223 0.77 NPY1R (0.41) ALDH1A1SMN1; SMN2HSD17B10MAPTADRB2
SCHEMBL1609768 0.77 PDE10A (0.49) ALDH1A1PDE10ACA1CA2

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 2654/4885HTR1A 3839/4885

“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.