SCHEMBL23409872

SCHEMBL23409872

COc1ccc(-c2cc(C(F)(F)F)c(=O)n(Cc3ccccc3)n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.69
PDE4B Q07343 9/20 0.69
PDE4C Q08493 9/20 0.69
PDE4D Q08499 9/20 0.69
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29893357 1.00 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23443637 0.96 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23409921 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23410164 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL29892224 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23409914 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23409945 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23409851 0.83 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL29892471 0.83 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL29892742 0.79 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-01-19 US claimed
WO-2021105641-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2021-06-03 WO claimed
US-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-01-19 US disclosed
CN-114945368-A N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2022-08-26 CN disclosed
WO-2021105641-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2021-06-03 WO 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-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B PDE4A 513/4885PDE4B 712/4885PDE4C 763/4885

“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.