SCHEMBL1808032

SCHEMBL1808032

Cc1cc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.39
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 1/20 0.32
AR P10275 7/20 0.31
EGLN2 Q96KS0 1/20 0.31
MGAT2 Q10469 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
SCHEMBL318146 0.87 AR (0.31) CACNA1HCYP11B2AR
SCHEMBL1807378 0.87 AR (0.46) AR
SCHEMBL319182 0.86 BACE1 (0.36) CACNA1HCYP11B2CYP11B1
SCHEMBL318455 0.85 CACNA1H (0.37) CACNA1HCYP11B2CYP11B1AREGLN2
SCHEMBL12653559 0.84 ALDH1A1 (0.36)
SCHEMBL1805279 0.80 RXRB (0.44)
SCHEMBL13635923 0.79 CRHR1 (0.35)
SCHEMBL17512337 0.79 MKNK1 (0.37)
SCHEMBL807501 0.79 ALOX5AP (0.31)
SCHEMBL926339 0.79 NOTUM (0.34) CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 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-20110118319-A1 Insecticidal Arylpyrroline Compounds DDT, LAP3, CYP4X1 CACNA1H 2063/4885CYP11B2 3684/4885CYP11B1 3051/4885

“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.