SCHEMBL4445782

SCHEMBL4445782

Cn1cc(C(=O)Nc2ccccc2-c2ccc(F)cc2Cl)c(CF)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.39
CHRM3 P20309 3/20 0.39
GRM4 Q14833 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NTRK1 P04629 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL4443882 0.91 CHRM3 (0.48) ATMPOLBCHRM3NTRK1SMN1; SMN2
SCHEMBL4451528 0.90 CHRM3 (0.48) ATMPOLBCHRM3NTRK1TP53
SCHEMBL4447437 0.86 KCNMA1 (0.46) ATMPOLBCHRM3NTRK1SMN1; SMN2
SCHEMBL4159066 0.83 CHRM3 (0.48) ATMPOLBCHRM3NTRK1TP53
SCHEMBL29445376 0.83 ATM (0.47) ATMCHRM3NTRK1SMN1; SMN2MAPT
SCHEMBL4451470 0.83 ATM (0.47) ATMPOLBCHRM3NTRK1MAPT
SCHEMBL1085668 0.83 ATM (0.47) ATMCHRM3NTRK1SMN1; SMN2MAPT
SCHEMBL2346206 0.83 CHRM3 (0.51) ATMCHRM3NTRK1
SCHEMBL4915627 0.83 ATM (0.43) ATMPOLBCHRM3NTRK1MAPT
SCHEMBL4451146 0.83 CHRM3 (0.51) ATMCHRM3NTRK1

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 ATM 2473/4885HSD11B1 875/4885POLB 2358/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 ATM 4775/4885HSD11B1 2912/4885POLB 3502/4885

“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.