SCHEMBL2813102

SCHEMBL2813102

CC(=C\Oc1ccc(Oc2ccccc2)cc1)/C(=N/c1ccccc1)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.40
NOS1 P29475 4/20 0.40
NOS2 P35228 2/20 0.40
LTA4H P09960 5/20 0.33
FURIN P09958 1/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
EPHX1 P07099 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
RECQL P46063 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
SCHEMBL2813104 1.00 NOS3 (0.40) NOS3NOS1NOS2LTA4HFURIN
SCHEMBL12851117 1.00 NOS3 (0.40) NOS3NOS1NOS2LTA4HFURIN
SCHEMBL2811139 0.95 NOS3 (0.37) NOS3NOS1NOS2RAB9ASMN1; SMN2
SCHEMBL12850952 0.95 NOS3 (0.37) NOS3NOS1NOS2RAB9ASMN1; SMN2
SCHEMBL2811138 0.95 NOS3 (0.37) NOS3NOS1NOS2RAB9ASMN1; SMN2
SCHEMBL2809811 0.90 NOS3 (0.33) NOS3NOS1GAA
SCHEMBL12851109 0.90 NOS3 (0.33) NOS3NOS1GAA
SCHEMBL12851017 0.90 NOS3 (0.40) NOS3NOS1NOS2LTA4HNPC1
SCHEMBL12850995 0.90 CYP2D6 (0.37) NOS3NOS1NPC1RAB9ASMN1; SMN2
SCHEMBL2809808 0.90 NOS3 (0.33) NOS3NOS1GAA

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 137/4885NOS2 149/4885

“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.