SCHEMBL1609653

SCHEMBL1609653

COC(=O)c1nc(C2CC2)nc(N(C)Cc2ccco2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
CYP1A2 P05177 8/20 0.38
CYP2D6 P10635 8/20 0.38
CYP2C19 P33261 7/20 0.38
CYP3A4 P08684 6/20 0.38
LMNA P02545 5/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 7/20 0.38
TSHR P16473 5/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 4/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CLK4 Q9HAZ1 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALOX15 P16050 2/20 0.36

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
SCHEMBL1609836 0.88 ALDH1A1 (0.38) CYP2D6CYP2C19LMNAMAPTALDH1A1
SCHEMBL1609605 0.84 PDE10A (0.44) PDE10ALMNAALDH1A1KMT2AHSP90AA1
SCHEMBL1610278 0.84 PDE4A (0.39) CYP2D6CYP2C19LMNAMAPTALDH1A1
SCHEMBL1610224 0.82 SLC6A3 (0.40) PDE10ALMNAMAPTALDH1A1TSHR
SCHEMBL1609694 0.82 SMN1; SMN2 (0.41) PDE10ALMNAMAPTALDH1A1TSHR
SCHEMBL1609979 0.81 PDE4B (0.42) PDE10AMAPTALDH1A1HPGDPOLB
SCHEMBL1609728 0.81 PDE10A (0.42) PDE10ALMNAMAPTALDH1A1HPGD
SCHEMBL1609421 0.81 PDE10A (0.43) PDE10AALDH1A1HPGDKMT2AHSD17B10
SCHEMBL1609602 0.80 PDE4B (0.41) PDE10ALMNAMAPTALDH1A1HPGD
SCHEMBL12713240 0.80 CHRM3 (0.39) PDE10ACYP2D6LMNAMAPTALDH1A1

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 1704/4885CYP1A2 84/4885CYP2D6 231/4885

“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.