SCHEMBL673368

SCHEMBL673368

Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)c(F)c2)c(C(F)Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.48
CSNK1D P48730 4/20 0.42
CSNK1E P49674 4/20 0.42
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL29445388 0.92 CHRM3 (0.49) CHRM3CSNK1DCSNK1ETAS1R3TAS1R1
SCHEMBL675989 0.92 CHRM3 (0.49) CHRM3CSNK1DCSNK1ETAS1R3TAS1R1
SCHEMBL4909628 0.89 CHRM3 (0.47) CHRM3ALDH1A1
SCHEMBL303047 0.85 CHRM3 (0.51) CHRM3CSNK1DCSNK1ETAS1R3TAS1R1
SCHEMBL29688317 0.85 CHRM3 (0.51) CHRM3CSNK1DCSNK1ETAS1R3TAS1R1
SCHEMBL1136276 0.85 CHRM3 (0.51) CHRM3
SCHEMBL412578 0.84 ABL1 (0.43) CHRM3CSNK1DCSNK1E
SCHEMBL29445401 0.84 ABL1 (0.43) CHRM3CSNK1DCSNK1E
SCHEMBL1144790 0.84 CSNK1D (0.43) CHRM3CSNK1DCSNK1E
SCHEMBL1134849 0.84 CHRM3 (0.49) CHRM3CSNK1DCSNK1ETAS1R3TAS1R1

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-8597688-B2 Pesticidal mixtures comprising isoxazoline compounds II BASF SE (DE) 2013-12-03 US disclosed
US-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II BASF SE (DE) 2011-06-30 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-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II PRDX1, PRDX2, PRDX5 CHRM3 99/4885CSNK1D 427/4885CSNK1E 1277/4885

“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.