SCHEMBL12777973

SCHEMBL12777973

CN/C(=N/C#N)C(C)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 1/20 0.36
S1PR3 Q99500 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
FFAR2 O15552 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
SCHEMBL4484025 1.00 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8070166 0.79 CHRNB2 (0.37) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL1747771 0.74 FFAR2 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747714 0.74 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12844797 0.70 CYP3A4 (0.35) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27478228 0.70 NAPRT (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30778456 0.70 ALDH1A1 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3077972 0.70 ALDH1A1 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7637789 0.70 KCNJ11 (0.43)
SCHEMBL7637779 0.70 KCNJ11 (0.43)

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-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 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-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CYP3A4 1161/4885CYP2D6 1988/4885SLC6A2 3783/4885

“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.