SCHEMBL3580771

SCHEMBL3580771

COC(=O)c1nc(Cl)c2ccc(F)cc2c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.42
PARP1 P09874 1/20 0.40
DHODH Q02127 2/20 0.39
MAP2K4 P45985 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ABCB11 O95342 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAK O14976 2/20 0.36

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
SCHEMBL3573811 0.95 PLA2G2A (0.42) PLA2G2APARP1DHODHMAP2K4KDM4E
SCHEMBL3580539 0.85 NR4A2 (0.40) KDM4EABCB11MEN1KMT2AMAPT
SCHEMBL3932873 0.81 KDM4E (0.47) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3575594 0.80 NR4A2 (0.40) KDM4EABCB11MEN1KMT2AMAPT
SCHEMBL13463018 0.77 AMY1A (0.36) PLA2G2ADHODHABCB11GAK
SCHEMBL1370456 0.72 MAPT (0.46) PLA2G2APARP1MAP2K4KDM4EKMT2A
SCHEMBL14354159 0.70 NPSR1 (0.41) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL28514184 0.69 PLA2G2A (0.42) PLA2G2APARP1DHODHMAP2K4KDM4E
SCHEMBL3281372 0.69 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20140437 0.68 NPSR1 (0.47) KDM4EMEN1LMNAKMT2AMAPT

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-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E PLA2G2A 3672/4885PARP1 382/4885DHODH 577/4885
US-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS PLA2G2A 3173/4885PARP1 513/4885DHODH 531/4885

“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.