SCHEMBL1609656

SCHEMBL1609656

COC(=O)c1nc(C2CC2)nc(NCC(F)c2ccc(Br)cc2F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.34
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE2A O00408 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL1610348 0.91 OPRM1 (0.35)
SCHEMBL1610256 0.86 PDE10A (0.34) PDE10AALDH1A1SMN1; SMN2HSD17B10NR1I2
SCHEMBL1610096 0.85 MAPK1 (0.34) PDE10AALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL1610716 0.84 PDE10A (0.36) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610298 0.84 SLC6A3 (0.39) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12713060 0.78 PDE10A (0.36) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610357 0.76 HCRTR1 (0.37) MAPT
SCHEMBL1610314 0.76 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609641 0.76 PDE10A (0.47) PDE10A
SCHEMBL1610515 0.75 CHRM3 (0.44) PDE10ANR1I2CYP3A4CYP2D6

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 3 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

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 PDE10A 1704/4885ALDH1A1 1562/4885SMN1; SMN2 2654/4885

“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.