SCHEMBL973104

SCHEMBL973104

Cn1cc(C(=O)Nc2c(F)cccc2Br)c(C(F)(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.46
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.44
STING1 Q86WV6 1/20 0.43
DHODH Q02127 9/20 0.43
GAA P10253 1/20 0.43
NPY5R Q15761 1/20 0.42
KLKB1 P03952 1/20 0.41

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
SCHEMBL4455883 0.90 LMNA (0.45) LMNAPOLBATMDHODH
SCHEMBL28354155 0.86 LMNA (0.56) LMNAPOLBBACE1BACE2STING1
SCHEMBL973770 0.86 LMNA (0.62) LMNAPOLBDHODHKLKB1
SCHEMBL2474435 0.85 LMNA (0.46) LMNAPOLBATMDHODHKLKB1
SCHEMBL3387363 0.84 ATM (0.47) LMNAPOLBATMDHODH
SCHEMBL973238 0.82 ATM (0.47) ATMDHODH
SCHEMBL973052 0.82 ATM (0.69) LMNAPOLBATMBACE1BACE2
SCHEMBL28345856 0.81 LMNA (0.51) LMNAPOLBDHODHGAANPY5R
SCHEMBL21069191 0.81 LMNA (0.64) LMNAPOLBBACE1BACE2STING1
SCHEMBL29445397 0.81 LMNA (0.53) LMNAPOLBBACE1BACE2STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003999-A1 Process for Preparing Substituted Biphenylanilides BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-1490342-B1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-12-15 EP disclosed
EP-1490342-B1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-12-15 EP disclosed
CN-100503577-C Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-06-24 CN disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
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-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 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-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 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
CN-1646494-A Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2005-07-27 CN 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 (3 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 LMNA 4412/4885POLB 1290/4885ATM 1894/4885
US-20110003999-A1 Process for Preparing Substituted Biphenylanilides DDT, PAH, THOP1 LMNA 3959/4885POLB 425/4885ATM 3682/4885
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides MRPL21, CBR3, CBR1 LMNA 4600/4885POLB 1757/4885ATM 1622/4885

“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.