SCHEMBL3394060

SCHEMBL3394060

CNC(=O)c1c(-c2ccc(Oc3ccc(C#N)cc3)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3393667 0.93 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19
SCHEMBL3398868 0.92 CYP3A4 (0.40) CYP3A4CNR1CNR2MAPTALOX15
SCHEMBL3395260 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19
SCHEMBL3392674 0.90 CYP2C9 (0.41) CYP3A4CYP2C9CYP2C19
SCHEMBL3422582 0.90 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19
SCHEMBL16493946 0.88 CNR1 (0.39) CYP3A4CNR1CNR2MAPTALOX15
SCHEMBL3397616 0.88 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19
SCHEMBL3395121 0.86 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL3399286 0.86 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19
SCHEMBL3398567 0.85 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19

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 CYP3A4 300/4885CNR1 490/4885CNR2 1361/4885

“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.