SCHEMBL4451470

SCHEMBL4451470

Cn1cc(C(=O)Nc2ccccc2-c2cc(F)cc(F)c2)c(CF)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CHRM3 P20309 11/20 0.47
NTRK1 P04629 2/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 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
SCHEMBL4451146 0.93 CHRM3 (0.51) ATMCHRM3NTRK1
SCHEMBL4159066 0.91 CHRM3 (0.48) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL1085544 0.90 CHRM3 (0.47) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL29445377 0.90 CHRM3 (0.47) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL1085475 0.89 ALDH1A1 (0.51) ATMALDH1A1LMNAKDM4EMAPT
SCHEMBL4913313 0.88 SSTR2 (0.48) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL4920171 0.87 CHRM3 (0.48) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL4451528 0.85 CHRM3 (0.48) ATMCHRM3NTRK1ALDH1A1MAPT
SCHEMBL1085668 0.84 ATM (0.47) ATMCHRM3NTRK1ALDH1A1LMNA
SCHEMBL302582 0.84 CHRM3 (0.47) ATMCHRM3NTRK1ALDH1A1LMNA

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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides 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-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 (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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides CBR3, CBR1, STS ATM 4479/4885CHRM3 328/4885NTRK1 3679/4885
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 ATM 2473/4885CHRM3 222/4885NTRK1 4602/4885

“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.