SCHEMBL1542337

SCHEMBL1542337

COc1ncccc1-c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2F)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.49
NTRK1 P04629 1/20 0.43
LRRK2 Q5S007 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ABL1 P00519 1/20 0.39
P2RY1 P47900 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GPR6 P46095 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL1542613 0.81 SCN5A (0.40) NTRK1SCN5ASCN9AP2RY1SMN1; SMN2
SCHEMBL2137707 0.79 MAPT (0.43) SCN5ASCN9ASMN1; SMN2NPC1CASP3
SCHEMBL1543199 0.78 SCN5A (0.40) NTRK1SCN5ASCN9AABL1P2RY1
SCHEMBL1542902 0.78 RORC (0.38) LRRK2SCN5ASCN9AP2RY1RAB9A
SCHEMBL1542573 0.77 SCN5A (0.40) SCN5ASCN9AABL1P2RY1SMN1; SMN2
SCHEMBL1542562 0.75 SCN5A (0.35) NTRK1SCN5ASCN9AABL1P2RY1
SCHEMBL1542554 0.74 SCN5A (0.45) SCN5ASCN9AABL1SMN1; SMN2L3MBTL1
SCHEMBL1542459 0.74 HCAR3 (0.42) NOX1SCN5ASCN9ASMN1; SMN2
SCHEMBL1542590 0.74 LYN (0.46) SCN5ASCN9ASMN1; SMN2
SCHEMBL3187209 0.73 IKBKB (0.46) FFAR4L3MBTL1

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 NOX1 411/4885NTRK1 4717/4885LRRK2 1215/4885

“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.