SCHEMBL12850804

SCHEMBL12850804

CSC(=C\Sc1ccccc1)/C(=N\c1ccccc1)Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PAX8 Q06710 1/20 0.35
NOS3 P29474 4/20 0.34
NOS1 P29475 4/20 0.34
NOS2 P35228 2/20 0.32
LMNA P02545 3/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32

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
SCHEMBL2812196 1.00 OPRM1 (0.35) OPRM1OPRD1PAX8NOS3NOS1
SCHEMBL2812200 1.00 OPRM1 (0.35) OPRM1OPRD1PAX8NOS3NOS1
SCHEMBL2811936 0.92 NOS3 (0.31) OPRM1OPRD1PAX8NOS3NOS1
SCHEMBL12850791 0.92 NOS3 (0.31) OPRM1OPRD1PAX8NOS3NOS1
SCHEMBL2811939 0.92 NOS3 (0.31) OPRM1OPRD1PAX8NOS3NOS1
SCHEMBL2808950 0.89 HTR3E (0.34) NOS3NOS1NOS2LMNAHTR3E
SCHEMBL2808953 0.89 HTR3E (0.34) NOS3NOS1NOS2LMNAHTR3E
SCHEMBL12850793 0.89 HTR3E (0.34) NOS3NOS1NOS2LMNAHTR3E
SCHEMBL2809204 0.83 NOS1 (0.41) NOS3NOS1NOS2LMNAHTR3E
SCHEMBL12850790 0.83 NOS1 (0.41) NOS3NOS1NOS2LMNAHTR3E

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 2 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

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 OPRM1 436/4885OPRD1 65/4885PAX8 4456/4885

“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.