SCHEMBL20875262

SCHEMBL20875262

Cn1cc(C(=O)Nc2ccccc2-c2ccc(F)cc2)c(C(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.52
CHRM3 P20309 4/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.44
GSK3A P49840 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1145015 0.93 ATM (0.46) NTRK1ATMALDH1A1L3MBTL1LMNA
SCHEMBL1085490 0.93 ALDH1A1 (0.50) ATMKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL10060307 0.92 LMNA (0.50) NTRK1ATMKMT2AALDH1A1L3MBTL1
SCHEMBL29419144 0.91 TDP1 (0.53) NTRK1CHRM3ATMALDH1A1L3MBTL1
SCHEMBL1134831 0.91 ATM (0.49) NTRK1ATMALDH1A1L3MBTL1LMNA
SCHEMBL121957 0.91 TDP1 (0.53) NTRK1CHRM3ATMALDH1A1L3MBTL1
SCHEMBL4095614 0.90 ATM (0.43) NTRK1ATMALDH1A1L3MBTL1LMNA
SCHEMBL302582 0.90 CHRM3 (0.47) NTRK1CHRM3ATMKMT2AALDH1A1
SCHEMBL10061459 0.89 NTRK1 (0.48) NTRK1CHRM3ATMALDH1A1L3MBTL1
SCHEMBL527999 0.89 ATM (0.45) NTRK1ATMALDH1A1L3MBTL1LMNA

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-11191270-B2 Pesticide composition comprising a tetrazolyloxime derivative and a fungicide or an insecticide active substance BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-12-07 US disclosed
US-20190104736-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2019-04-11 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-11191270-B2 Pesticide composition comprising a tetrazolyloxime derivative and a fungicide or an insecticide active substance DDT, TH, PRDX5 NTRK1 4429/4885CHRM3 820/4885ATM 1231/4885
US-20190104736-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 NTRK1 4429/4885CHRM3 820/4885ATM 1231/4885

“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.