SCHEMBL1542378

SCHEMBL1542378

COc1ncccc1-c1cc(C(=O)c2ccnc(N)c2)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
DHODH Q02127 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 1/20 0.37
ABL1 P00519 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL1542516 0.88 FFAR4 (0.39) FFAR4DHODHABL1HDAC6HDAC3
SCHEMBL1542242 0.88 FFAR4 (0.39) FFAR4DHODHALOX5APFEN1ABL1
SCHEMBL1542677 0.85 CYP3A4 (0.44) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL1542276 0.77 ALOX5AP (0.43) FFAR4DHODHALOX5APFEN1ABL1
SCHEMBL1542554 0.74 SCN5A (0.45) ABL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL2142466 0.73 GPBAR1 (0.45) FFAR4DHODHABL1HDAC6HDAC3
SCHEMBL3187209 0.72 IKBKB (0.46) FFAR4DHODH
SCHEMBL1542893 0.72 ERN1 (0.42) FFAR4DHODHALOX5APFEN1ABL1
SCHEMBL1542504 0.70 ALDH1A1 (0.45) FFAR4DHODHALOX5APFEN1MAPT
SCHEMBL558935 0.70 ALOX5AP (0.55) DHODHALOX5APFEN1PTGES2LOXL2

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 FFAR4 3966/4885DHODH 1505/4885ALOX5AP 3584/4885

“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.