SCHEMBL4171408

SCHEMBL4171408

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CHRM3 P20309 2/20 0.49
NTRK1 P04629 1/20 0.45
GAA P10253 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPY5R Q15761 4/20 0.44
TACR1 P25103 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.43
EPAS1 Q99814 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 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
SCHEMBL4456702 0.92 TACR1 (0.47) ALDH1A1CHRM3NTRK1GAACYP1A2
SCHEMBL11930691 0.86 ALDH1A1 (0.57) ALDH1A1NTRK1MEN1KMT2AMAPT
SCHEMBL4166631 0.83 CHRM3 (0.49) ALDH1A1CHRM3NPSR1MEN1KMT2A
SCHEMBL4453379 0.83 ALDH1A1 (0.46) ALDH1A1CHRM3NTRK1GAACYP1A2
SCHEMBL13455934 0.82 ALDH1A1 (0.46) ALDH1A1CHRM3NTRK1NPSR1TACR1
SCHEMBL4169075 0.82 KMT2A (0.53) ALDH1A1GAAMEN1KMT2ATHRB
SCHEMBL27737486 0.82 NR3C1 (0.48) ALDH1A1NPSR1MEN1KMT2ATP53
SCHEMBL1134839 0.82 CHRM3 (0.46) ALDH1A1CHRM3CYP1A2CYP3A4CYP2C9
SCHEMBL13455819 0.82 ALDH1A1 (0.49) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL344392 0.81 CHRM3 (0.46) ALDH1A1CHRM3CYP1A2CYP3A4CYP2C9

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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 US claimed
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides CBR3, CBR1, CYCS ALDH1A1 2391/4885CHRM3 370/4885NTRK1 3690/4885

“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.