SCHEMBL1542516

SCHEMBL1542516

COc1ncccc1-c1cc(C(=O)c2ccnc(Cl)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
PDE10A Q9Y233 2/20 0.37
EIF4E P06730 1/20 0.37
ABL1 P00519 1/20 0.36
RORB Q92753 2/20 0.35
RORC P51449 1/20 0.35
CCR9 P51686 1/20 0.35
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
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33

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
SCHEMBL1542378 0.88 FFAR4 (0.39) FFAR4DHODHEIF4EABL1HDAC6
SCHEMBL1542242 0.84 FFAR4 (0.39) FFAR4DHODHABL1HDAC6HDAC3
SCHEMBL1542183 0.77 CYP3A4 (0.34) FFAR4DHODHPDE10AEIF4EABL1
SCHEMBL1542677 0.73 CYP3A4 (0.44) ABL1CCR9TUBB4ATUBBTUBA3C
SCHEMBL1542276 0.73 ALOX5AP (0.43) FFAR4DHODHABL1SCN9AMAPT
SCHEMBL1542893 0.72 ERN1 (0.42) FFAR4DHODHABL1
SCHEMBL1542554 0.72 SCN5A (0.45) ABL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL3187209 0.71 IKBKB (0.46) FFAR4DHODHRORC
SCHEMBL1542504 0.70 ALDH1A1 (0.45) FFAR4DHODHALDH1A1NPC1MAPT
SCHEMBL28590511 0.70 LOXL2 (0.47) FFAR4DHODHPDE10AEIF4ERORB

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 1505/4885PDE10A 1926/4885

“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.