SCHEMBL2811939

SCHEMBL2811939

CSC(=CSc1ccc(F)cc1)C(=Nc1ccccc1)Sc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
PAX8 Q06710 1/20 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
SCHEMBL2811936 1.00 NOS3 (0.31) NOS3NOS1OPRM1OPRD1PAX8
SCHEMBL12850791 1.00 NOS3 (0.31) NOS3NOS1OPRM1OPRD1PAX8
SCHEMBL12850804 0.92 OPRM1 (0.35) NOS3NOS1OPRM1OPRD1PAX8
SCHEMBL2812200 0.92 OPRM1 (0.35) NOS3NOS1OPRM1OPRD1PAX8
SCHEMBL2812196 0.92 OPRM1 (0.35) NOS3NOS1OPRM1OPRD1PAX8
SCHEMBL12850812 0.91 SLC22A2 (0.31) NOS3NOS1
SCHEMBL2808874 0.91 SLC22A2 (0.31) NOS3NOS1
SCHEMBL2808875 0.91 SLC22A2 (0.31) NOS3NOS1
SCHEMBL12850836 0.85 NOS3 (0.37) NOS3NOS1
SCHEMBL2810437 0.85 NOS3 (0.37) NOS3NOS1

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-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 NOS3 110/4885NOS1 137/4885OPRM1 436/4885

“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.