SCHEMBL1542600

SCHEMBL1542600

COc1c(C(=O)NC2CCCCC2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.52
CNR2 P34972 10/20 0.52
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2128506 0.95 CYP3A4 (0.51) CNR1CNR2CYP3A4ALDH1A1GAA
SCHEMBL1542756 0.91 CYP3A4 (0.48) CNR1CNR2CYP3A4
SCHEMBL1542529 0.90 MAPK1 (0.51) CNR1CNR2CYP3A4
SCHEMBL1542583 0.90 CYP3A4 (0.47) CNR1CNR2CYP3A4KMT2A
SCHEMBL1543184 0.89 CYP3A4 (0.46) CNR1CNR2CYP3A4
SCHEMBL1542287 0.89 CYP3A4 (0.44) CNR1CNR2CYP3A4MEN1KMT2A
SCHEMBL1542602 0.88 CYP3A4 (0.53) CNR1CNR2CYP3A4
SCHEMBL2127541 0.86 CYP3A4 (0.47) CNR1CNR2CYP3A4
SCHEMBL1542533 0.86 CYP3A4 (0.47) CNR1CNR2CYP3A4
SCHEMBL1542387 0.86 CYP3A4 (0.47) CNR1CNR2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CNR1 1007/4885CNR2 1996/4885CYP3A4 528/4885

“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.