SCHEMBL1542640

SCHEMBL1542640

COc1ncccc1-c1cc(Br)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
BTK Q06187 1/20 0.39
DHODH Q02127 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GABRA1 P14867 1/20 0.36
ABL1 P00519 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KIF11 P52732 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NAAA Q02083 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
SCHEMBL13064943 0.83 FFAR4 (0.36) ALOX5APFEN1FFAR4KIF11L3MBTL1
SCHEMBL859892 0.82 RORC (0.39) L3MBTL1
SCHEMBL15394636 0.81 KIF11 (0.53) LOXL2ALOX5APFEN1FFAR4BTK
SCHEMBL1542468 0.79 NAAA (0.40) LOXL2FEN1FFAR4DHODHPTGES2
SCHEMBL1542308 0.78 FFAR4 (0.40) LOXL2ALOX5APFEN1FFAR4BTK
SCHEMBL4705 0.78 LOXL2 (0.47) LOXL2ALOX5APFEN1FFAR4BTK
SCHEMBL19232013 0.77 PTPN5 (0.45) NPC1RAB9A
SCHEMBL1542364 0.76 BTK (0.43) LOXL2ALOX5APFEN1BTKPTGES2
SCHEMBL970744 0.76 ALOX5AP (0.49) LOXL2ALOX5APFEN1FFAR4BTK
SCHEMBL10220681 0.72 LOXL2 (0.45) LOXL2ALOX5APFEN1FFAR4BTK

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 LOXL2 4769/4885ALOX5AP 3584/4885FEN1 2337/4885

“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.