SCHEMBL4453566

SCHEMBL4453566

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1-c1ccc(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM3 P20309 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNMA1 Q12791 1/20 0.40
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 1/20 0.39
NR3C1 P04150 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4446444 0.92 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL4447577 0.89 HPGD (0.42) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL29445384 0.87 CHRM3 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL1134827 0.87 CHRM3 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL4447708 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL4446426 0.83 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL6029377 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL4456891 0.82 CHRM3 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL1134839 0.81 CHRM3 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL4450127 0.81 ATM (0.57) CYP1A2CYP2C9CYP2C19NPC1RAB9A

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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides 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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 CYP1A2 114/4885CYP3A4 181/4885CYP2C9 167/4885

“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.