SCHEMBL1542261

SCHEMBL1542261

COc1ncccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
LMNA P02545 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERO1A Q96HE7 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1542554 0.87 SCN5A (0.45) KDRKMT2AMEN1SCN5ASCN9A
SCHEMBL2128267 0.83 TRPV1 (0.47) KMT2AMEN1SCN5ASCN9AHPGD
SCHEMBL6766131 0.81 HTT (0.44) KMT2AMEN1HPGDHTTABCG2
SCHEMBL2137707 0.79 MAPT (0.43) KMT2AMEN1SCN5ASCN9AHTT
SCHEMBL12678915 0.79 SCN5A (0.41) KMT2AMEN1SCN5ASCN9AHPGD
SCHEMBL12678858 0.78 MEN1 (0.44) KMT2AMEN1HPGDHTTLMNA
SCHEMBL1542504 0.77 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL1542243 0.77 CYP3A4 (0.46) MAPTNPC1RAB9ASMN1; SMN2SNCA
SCHEMBL1542246 0.77 CYP3A4 (0.46) MAPTNPC1RAB9ASMN1; SMN2SNCA
SCHEMBL1542613 0.75 SCN5A (0.40) KMT2AMEN1SCN5ASCN9ANPC1

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 KDR 2798/4885KMT2A 2398/4885MEN1 4639/4885

“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.