SCHEMBL2117469

SCHEMBL2117469

OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2I)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
KCNA3 P22001 1/20 0.36
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
ENPP2 Q13822 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL369213 0.85 CA4 (0.39) KCNN4KCNA3CA4CA6CA5A
SCHEMBL2800661 0.75 CNR1 (0.34) CA4CA6CA5ACA7ENPP2
SCHEMBL14599403 0.70 KCNN4 (0.33) KCNN4KCNA3
SCHEMBL69872 0.68 KCNN4 (0.36) KCNN4KCNA3
SCHEMBL7254281 0.65 GAA (0.48) KCNN4KCNA3CA4CA14
SCHEMBL25390056 0.64 MGLL (0.34)
SCHEMBL16145218 0.64 NPC1 (0.33)
SCHEMBL16663363 0.62 KCNN4 (0.41) KCNN4KCNA3
SCHEMBL16965740 0.62 KCNN4 (0.58) KCNN4KCNA3
SCHEMBL12266089 0.61 GAA (0.58) CA4CA6CA5ACA7ENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE KCNN4 3210/4885KCNA3 1130/4885CA4 2503/4885

“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.