SCHEMBL4098297

SCHEMBL4098297

Cn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
GAA P10253 2/20 0.52
CYP2D6 P10635 2/20 0.52
HPGD P15428 1/20 0.52
NTRK1 P04629 1/20 0.50
CHRM3 P20309 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL1085473 0.92 LMNA (0.48) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL2993799 0.86 LMNA (0.50) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4916941 0.85 LMNA (0.50) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4918707 0.85 LMNA (0.52) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4920399 0.85 LMNA (0.52) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL27707930 0.84 LMNA (0.47) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL2997208 0.83 LMNA (0.51) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL29445414 0.83 LMNA (0.51) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL27737634 0.83 LMNA (0.46) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4976996 0.82 CHRM3 (0.48) MEN1KMT2ANPSR1CYP1A2CYP3A4

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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 US claimed
US-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides CTRL, CYP4X1, SNU13 MEN1 792/4885KMT2A 1745/4885NPSR1 3516/4885

“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.