SCHEMBL4453760

SCHEMBL4453760

Cn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(Cl)cc2Cl)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 7/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM3 P20309 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.40
HSD11B1 P28845 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4446133 0.92 LMNA (0.58) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL4918707 0.86 LMNA (0.52) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL4920399 0.85 LMNA (0.52) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL4916941 0.84 LMNA (0.50) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL2997208 0.83 LMNA (0.51) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL29445414 0.83 LMNA (0.51) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL27707930 0.83 LMNA (0.47) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL1085473 0.82 LMNA (0.48) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL27737634 0.81 LMNA (0.46) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL302846 0.81 LMNA (0.61) LMNAALDH1A1POLBSMN1; SMN2CHRM3

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 3 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 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 (2 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 CYP1A2 154/4885CYP3A4 97/4885CYP2C19 491/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 CYP1A2 114/4885CYP3A4 181/4885CYP2C19 195/4885

“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.