SCHEMBL4456891

SCHEMBL4456891

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4449334 0.89 ALDH1A1 (0.43) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4453379 0.86 ALDH1A1 (0.46) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4457740 0.85 CHRM3 (0.41) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1134839 0.85 CHRM3 (0.46) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11930691 0.84 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGD
SCHEMBL344392 0.84 CHRM3 (0.46) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4922992 0.84 ALDH1A1 (0.49) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13455819 0.82 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4446444 0.82 CYP1A2 (0.46) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4456702 0.82 TACR1 (0.47) CHRM3CYP1A2CYP3A4CYP2C9CYP2C19

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 CHRM3 328/4885CYP1A2 55/4885CYP3A4 264/4885

“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.