SCHEMBL4456087

SCHEMBL4456087

Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
CHRM3 P20309 3/20 0.50
CYP1A2 P05177 2/20 0.48
GAA P10253 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44
EGFR P00533 1/20 0.44
NPC1 O15118 2/20 0.43
NTRK1 P04629 1/20 0.43
BCL3 P20749 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4450127 0.89 ATM (0.57) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL4451528 0.89 CHRM3 (0.48) ATMCHRM3ALDH1A1MAPTRAB9A
SCHEMBL29445412 0.89 ATM (0.61) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL1134835 0.89 ATM (0.61) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL302442 0.87 CHRM3 (0.48) ATMCHRM3ALDH1A1MAPTRAB9A
SCHEMBL675130 0.86 LMNA (0.51) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL12393705 0.85 ATM (0.62) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL1134833 0.83 ATM (0.60) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL4920642 0.82 ATM (0.59) ATMCHRM3CYP1A2GAACYP2C9
SCHEMBL21069152 0.82 ATM (0.58) ATMCYP1A2GAACYP2C9ALDH1A1

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 7 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-8008232-B2 Such as N-(3',4'-dichlorobiphenyl-2-yl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide; seeds BASF AKTIENGESELLSCHAFT (DE) 2011-08-30 US disclosed
US-8008232-B2 Such as N-(3',4'-dichlorobiphenyl-2-yl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide; seeds BASF AKTIENGESELLSCHAFT (DE) 2011-08-30 US disclosed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 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 ATM 2473/4885CHRM3 222/4885CYP1A2 154/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 ATM 4775/4885CHRM3 766/4885CYP1A2 114/4885

“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.