SCHEMBL7362278

SCHEMBL7362278

COc1cc(C(C)=O)ccc1OC(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 4/20 0.55
TSHR P16473 3/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL29892240 1.00 KDM4E (0.59) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL10780177 0.93 KDM4E (0.56) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL142851 0.91 PDE4D (0.54) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL2564619 0.87 CA12 (0.71) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL16959609 0.86 KDM4E (0.55) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL3738587 0.85 MAPT (0.64) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL4696721 0.85 KDM4E (0.58) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL29824542 0.85 KDM4E (0.61) KDM4EHTTRAB9ATSHRNPC1
SCHEMBL5466423 0.85 ALDH1A1 (0.56) RAB9ATSHRNPC1SMN1; SMN2TP53
SCHEMBL29399077 0.84 TSHR (0.73) TSHRSMN1; SMN2MAPK1CYP1A2CYP3A4

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 11 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 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
CN-107148271-A Fluorinated pyridazin-3-one compounds for the treatment of pulmonary diseases 法国兰斯大学 2017-09-08 CN disclosed
EP-3212190-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES Université De Reims Champagne-Ardenne (FR) 2017-09-06 EP disclosed
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 US disclosed
WO-2016066973-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2016-05-06 WO disclosed
EP-0466408-B1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM & HAAS (US) 2000-01-12 EP disclosed
US-5798311-A INSECTICIDES ROHM AND HAAS COMPANY (US) 1998-08-25 US disclosed
EP-0466408-A1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM AND HAAS COMPANY (US) 1992-01-15 EP disclosed
US-4665074-A CARDIOTONIC, BRONCHOSPASMOLYTIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-05-12 US disclosed
EP-0163965-A2 Pyridazinones, their preparation and use, medicaments containing pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-12-11 EP 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-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B KDM4E 4471/4885HTT 2276/4885RAB9A 1979/4885
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 KDM4E 4650/4885HTT 3609/4885RAB9A 1647/4885

“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.