SCHEMBL4477674

SCHEMBL4477674

Cn1cc(C(=O)Nc2c(F)cccc2-c2ccc(F)c(Cl)c2)c(C(F)C(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
EGFR P00533 1/20 0.39
CHRM3 P20309 4/20 0.39
MAPK1 P28482 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DHODH Q02127 7/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL1145148 0.92 CHRNA7 (0.43) CHRNA7EGFRCHRM3MAPK1MAOA
SCHEMBL868026 0.87 EGFR (0.40) CHRNA7EGFRMAPK1DHODH
SCHEMBL16212684 0.85 EGFR (0.40) CHRNA7EGFRMAPK1DHODH
SCHEMBL13006486 0.84 LMNA (0.55) CHRNA7EGFRMAPK1DHODH
SCHEMBL1144896 0.83 MAPT (0.42) CHRM3MAPK1MAOAMAOBDHODH
SCHEMBL3385594 0.82 CHRNA7 (0.41) CHRNA7EGFRCHRM3MAPK1MAOA
SCHEMBL4477671 0.81 LMNA (0.45) CHRNA7EGFRCHRM3MAOAMAOB
SCHEMBL4918770 0.79 CHRM3 (0.50) CHRM3MAPK1MAOAMAOBCHRM1
SCHEMBL4455890 0.79 ATM (0.46) EGFRDHODH
SCHEMBL1145119 0.78 LMNA (0.53) EGFRMAPK1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 US disclosed
US-20060116414-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-06-01 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 (2 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-20060116414-A1 Disubstituted pyrazolyl carboxanilides MRPL21, RRS1, CBR3 CHRNA7 3475/4885EGFR 1726/4885CHRM3 412/4885
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides MRPL21, CBR3, CBR1 CHRNA7 3399/4885EGFR 1769/4885CHRM3 302/4885

“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.