SCHEMBL1542459

SCHEMBL1542459

COCCNc1ccc(C(=O)Nc2cc(-c3cccnc3OCc3ccccc3)cc(C(C)(C)C)c2OC)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
HDAC1 Q13547 4/20 0.42
GCK P35557 3/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CXCR2 P25025 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
DGAT1 O75907 1/20 0.37
LYN P07948 1/20 0.36
MAPK9 P45984 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
RORC P51449 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK8 P45983 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL1542590 0.88 LYN (0.46) HCAR3HDAC1GCKCXCR2LYN
SCHEMBL1542573 0.82 SCN5A (0.40) HDAC1SCN5ASCN9ARORCRAF1
SCHEMBL1542613 0.81 SCN5A (0.40) HDAC1SCN5ASCN9ARORCRAF1
SCHEMBL1542559 0.81 HCAR3 (0.43) HCAR3HDAC1AURKARPS6KB1DGAT1
SCHEMBL1543199 0.80 SCN5A (0.40) SCN5ASCN9ARORCRAF1SMN1; SMN2
SCHEMBL2137707 0.79 MAPT (0.43) SCN5ASCN9ARORCSMN1; SMN2ALDH1A1
SCHEMBL1542562 0.79 SCN5A (0.35) SCN5ASCN9ARORCRAF1CNR1
SCHEMBL1542902 0.79 RORC (0.38) SCN5ASCN9ARORCCNR1CNR2
SCHEMBL12678915 0.78 SCN5A (0.41) HDAC1LYNMAPK9SCN5ASCN9A
SCHEMBL1542337 0.74 NOX1 (0.49) NOX1SCN5ASCN9ASMN1; SMN2

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 disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B HCAR3 2486/4885HDAC1 392/4885GCK 2927/4885

“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.