SCHEMBL4449376

SCHEMBL4449376

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.50
TACR1 P25103 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.42
CHRM3 P20309 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
TRPV1 Q8NER1 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
SCHEMBL3542247 0.92 ALDH1A1 (0.52) NTRK1TACR1ALDH1A1CHRM3RXFP1
SCHEMBL29419096 0.91 NTRK1 (0.56) NTRK1TACR1ALDH1A1ATMCHRM3
SCHEMBL232104 0.91 NTRK1 (0.56) NTRK1TACR1ALDH1A1ATMCHRM3
SCHEMBL302582 0.87 CHRM3 (0.47) NTRK1ALDH1A1ATMCHRM3IRAK4
SCHEMBL167627 0.86 CHRM3 (0.47) NTRK1ALDH1A1ATMCHRM3IRAK4
SCHEMBL29353394 0.86 CHRM3 (0.47) NTRK1ALDH1A1ATMCHRM3IRAK4
SCHEMBL4443686 0.86 LMNA (0.53) NTRK1TACR1ALDH1A1ATMCHRM3
SCHEMBL26135329 0.86 NTRK1 (0.52) NTRK1TACR1ALDH1A1ATMCHRM3
SCHEMBL1085490 0.86 ALDH1A1 (0.50) ALDH1A1ATMIRAK4LMNAKDM4E
SCHEMBL10267956 0.86 NTRK1 (0.50) NTRK1TACR1ALDH1A1ATMCHRM3

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 NTRK1 3679/4885TACR1 670/4885ALDH1A1 433/4885

“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.