SCHEMBL615245

SCHEMBL615245

N#CN=C1CC(c2ccc(Cl)nc2)[S+]([O-])C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.35
CHRNA7 P36544 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA4 P43681 9/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CHRNB4 P30926 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
HPGD P15428 1/20 0.32
CHRND Q07001 1/20 0.32
CHRNA2 Q15822 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
SCHEMBL3256240 0.63 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL12778051 0.63 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL3256237 0.63 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL1481609 0.58 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL30847846 0.58 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
Cyanide SCHEMBL27676360 0.58 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL15526645 0.57 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL6979765 0.57 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL27578866 0.57 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA3CHRNA4MEN1
SCHEMBL2409172 0.56 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA3CHRNA4MEN1

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-20120040835-A1 Method for Improved Use of the Production Potential of Genetically Modified Plants BAYER CROPSCIENCE AG (DE) 2012-02-16 US claimed
US-20120040835-A1 Method for Improved Use of the Production Potential of Genetically Modified Plants BAYER CROPSCIENCE AG (DE) 2012-02-16 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-20120040835-A1 Method for Improved Use of the Production Potential of Genetically Modified Plants GLB1, DCXR, MT-CO2 CHRNB2 2298/4885CHRNA7 2641/4885CHRNA3 1967/4885

“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.