SCHEMBL1542573

SCHEMBL1542573

COc1c(NC(=O)c2ccc(NCC(F)(F)F)cc2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ABL1 P00519 1/20 0.39
RAF1 P04049 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PPIA P62937 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RORC P51449 1/20 0.36
CYP3A4 P08684 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL1543199 0.90 SCN5A (0.40) SCN5ASCN9AABL1RAF1SMN1; SMN2
SCHEMBL1542562 0.86 SCN5A (0.35) SCN5ASCN9AABL1RAF1RORC
SCHEMBL1542613 0.84 SCN5A (0.40) SCN5ASCN9ACYP11B1CYP11B2RAF1
SCHEMBL2137707 0.82 MAPT (0.43) SCN5ASCN9ASMN1; SMN2ALDH1A1TRPV1
SCHEMBL1542459 0.82 HCAR3 (0.42) SCN5ASCN9ARAF1SMN1; SMN2KDM4E
SCHEMBL1542590 0.81 LYN (0.46) SCN5ASCN9ACYP11B1CYP11B2RAF1
SCHEMBL1542902 0.80 RORC (0.38) SCN5ASCN9AKDM4ECYP2C19ALDH1A1
SCHEMBL1542446 0.79 CYP3A4 (0.48) ABL1SMN1; SMN2KDM4ECYP2C19ALDH1A1
SCHEMBL2489637 0.78 KIT (0.38) ABL1SMN1; SMN2CYP2C19TRPV1HDAC1
SCHEMBL1542337 0.77 NOX1 (0.49) SCN5ASCN9AABL1SMN1; SMN2P2RY1

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 SCN5A 3339/4885SCN9A 1161/4885CYP11B1 1213/4885

“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.