SCHEMBL4456702

SCHEMBL4456702

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
ALDH1A1 P00352 2/20 0.45
NTRK1 P04629 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
GAA P10253 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
NR3C1 P04150 2/20 0.40
CHRM3 P20309 1/20 0.40
SCN9A Q15858 1/20 0.40
NPY5R Q15761 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
SCHEMBL4171408 0.92 ALDH1A1 (0.54) TACR1ALDH1A1NTRK1MEN1KMT2A
SCHEMBL4453379 0.87 ALDH1A1 (0.46) ALDH1A1NTRK1MEN1KMT2AGAA
SCHEMBL1134839 0.86 CHRM3 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL11930691 0.85 ALDH1A1 (0.57) ALDH1A1NTRK1MEN1KMT2AHPGD
SCHEMBL4449334 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL13455934 0.84 ALDH1A1 (0.46) TACR1ALDH1A1NTRK1MEN1KMT2A
SCHEMBL27737486 0.84 NR3C1 (0.48) ALDH1A1MEN1KMT2AABCG2NPSR1
SCHEMBL13455819 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AABCG2GAA
SCHEMBL13455791 0.83 ALDH1A1 (0.45) TACR1ALDH1A1NTRK1MEN1KMT2A
SCHEMBL4456891 0.82 CHRM3 (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides CBR3, CBR1, STS TACR1 670/4885ALDH1A1 433/4885NTRK1 3679/4885

“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.