SCHEMBL2137707

SCHEMBL2137707

COc1c(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
ABCB1 P08183 5/20 0.41
ABCC1 P33527 3/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
RORC P51449 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.36
CASP3 P42574 2/20 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
SCHEMBL1542613 0.89 SCN5A (0.40) MEN1KMT2ASCN5ASCN9ARORC
SCHEMBL1543199 0.86 SCN5A (0.40) MEN1KMT2AABCB1ABCC1SCN5A
SCHEMBL1542573 0.82 SCN5A (0.40) MEN1KMT2ASCN5ASCN9AALDH1A1
SCHEMBL1542459 0.79 HCAR3 (0.42) SCN5ASCN9AALDH1A1RORCSMN1; SMN2
SCHEMBL1542590 0.79 LYN (0.46) SCN5ASCN9ARORCSMN1; SMN2
SCHEMBL1542261 0.79 KDR (0.46) MAPTMEN1KMT2ASCN5ASCN9A
SCHEMBL1542337 0.79 NOX1 (0.49) SCN5ASCN9ANPC1CASP3RAB9A
SCHEMBL1542902 0.79 RORC (0.38) SCN5ASCN9AALDH1A1RORCRAB9A
SCHEMBL1542562 0.76 SCN5A (0.35) SCN5ASCN9ARORC
SCHEMBL1542554 0.74 SCN5A (0.45) MAPTMEN1KMT2ASCN5ASCN9A

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 3 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
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 MAPT 4356/4885MEN1 4639/4885KMT2A 2398/4885

“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.