SCHEMBL11903074

SCHEMBL11903074

COC(=O)c1nc(C2CC2)nc(C=S)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 8/20 0.37
SLC6A3 Q01959 4/20 0.33
PDE4D Q08499 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL718159 0.82 PDE10A (0.47) NPSR1PDE10ASLC6A3PDE4DTSHR
SCHEMBL11902735 0.81 NPSR1 (0.35) NPSR1
SCHEMBL720885 0.78 NPSR1 (0.40) NPSR1PDE10ASLC6A3PDE4DTSHR
SCHEMBL29615012 0.78 PDE10A (0.49) NPSR1PDE10ASLC6A3PDE4DTSHR
SCHEMBL121762 0.78 PDE10A (0.49) NPSR1PDE10ASLC6A3PDE4DTSHR
Hydrochloric Acid SCHEMBL28163034 0.77 PDE10A (0.47) NPSR1PDE10ASLC6A3PDE4DTSHR
SCHEMBL718715 0.76 TSHR (0.38) NPSR1PDE10ASLC6A3PDE4DTSHR
SCHEMBL719721 0.76 PDE10A (0.41) NPSR1PDE10ASLC6A3SMN1; SMN2
SCHEMBL1610047 0.75 PDE10A (0.49) PDE10APDE4D
SCHEMBL11903077 0.75 PDE10A (0.39) NPSR1PDE10ASLC6A3PDE4DTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO NPSR1 1646/4885PDE10A 2603/4885SLC6A3 1010/4885

“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.