SCHEMBL4728790

SCHEMBL4728790

COC(=O)c1cc(OC)c(F)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
KDM4E B2RXH2 6/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL2806797 0.88 GAA (0.48) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL5356658 0.87 GAA (0.49) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL6588104 0.87 KDM4E (0.56) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL23137996 0.83 GAA (0.52) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL29046541 0.83 GAA (0.46) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL2774399 0.82 GAA (0.44) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL5457596 0.81 GAA (0.51) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL31432452 0.81 GAA (0.48) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL8167910 0.81 KDM4E (0.44) GAAKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL17339012 0.81 GAA (0.49) GAAKDM4EPOLBSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 WO disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
US-9617212-B2 Isoindolin-1-ones as macrophage migration inhibitory factor (MIF) inhibitors CONTROLLED CHEMICALS, INC. (US) 2017-04-11 US disclosed
US-9617212-B2 Isoindolin-1-ones as macrophage migration inhibitory factor (MIF) inhibitors CONTROLLED CHEMICALS, INC. (US) 2017-04-11 US disclosed
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 US disclosed
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 US disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 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 (3 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS GAA 2731/4885KDM4E 1113/4885POLB 427/4885
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS GAA 3490/4885KDM4E 1888/4885POLB 532/4885
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS MIF, MACF1, MYADM GAA 3343/4885KDM4E 4590/4885POLB 3984/4885

“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.