SCHEMBL3395210

SCHEMBL3395210

CNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2cc(C(C)(C)O)c(OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.42
CYP3A4 P08684 7/20 0.39
CYP2C8 P10632 3/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
KCNH2 Q12809 2/20 0.38
BCHE P06276 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2837513 0.95 CYP3A4 (0.42) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL2841204 0.86 CYP3A4 (0.41) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16494079 0.85 MAPT (0.37) ANO1KDRBCHECNR1CNR2
SCHEMBL2838947 0.85 CYP3A4 (0.41) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL2840276 0.85 CYP3A4 (0.40) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL3399393 0.85 ANO1 (0.43) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL3396100 0.84 CYP3A4 (0.51) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL2862611 0.84 ANO1 (0.53) ANO1
SCHEMBL2837514 0.84 ANO1 (0.46) ANO1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL2836617 0.82 CYP2C9 (0.44) CYP3A4CYP2C9CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 EP claimed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US claimed
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO claimed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 US claimed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 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 (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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 ANO1 4391/4885CYP3A4 300/4885CYP2C8 358/4885

“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.