SCHEMBL1610775

SCHEMBL1610775

COC(=O)c1nc(C2CC2)nc(NC2(/C=C\c3ccccc3)CC2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPY5R Q15761 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL1610312 1.00 PDE10A (0.35) PDE10APOLBKDM4ELMNAMAPT
SCHEMBL12713074 1.00 PDE10A (0.35) PDE10APOLBKDM4ELMNAMAPT
SCHEMBL1609935 0.92 SLC6A3 (0.35) KDM4EMAPTHTTRAB9ACYP1A2
SCHEMBL1609934 0.92 SLC6A3 (0.35) KDM4EMAPTHTTRAB9ACYP1A2
SCHEMBL1610318 0.91 ALDH1A1 (0.33) PDE10AKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1610320 0.91 ALDH1A1 (0.33) PDE10AKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1611867 0.91 NPC1 (0.38) POLBLMNAMAPTNPC1RAB9A
SCHEMBL1611866 0.91 NPC1 (0.38) POLBLMNAMAPTNPC1RAB9A
SCHEMBL12713075 0.90 NOS2 (0.33) SLC6A3PTPN1
SCHEMBL1611472 0.90 NOS2 (0.33) SLC6A3PTPN1

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 1704/4885POLB 915/4885KDM4E 2613/4885

“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.