SCHEMBL771758

SCHEMBL771758

CN(C)/C=C/c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 8/20 0.40
VCAM1 P19320 3/20 0.40
PARG Q86W56 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.37
PKM P14618 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
SCHEMBL771759 1.00 KMT2A (0.43) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL13286192 0.84 MAPT (0.44) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL9083424 0.81 PTGS2 (0.45) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9083432 0.81 PTGS2 (0.45) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL31129799 0.80 VCAM1 (0.58) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL12510407 0.79 KDM4E (0.44) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL24143801 0.76 PTGS2 (0.45) KMT2AMAPTNPC1LMNAHPGD
SCHEMBL773215 0.76 ALDH1A1 (0.57) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL1625381 0.74 VCAM1 (0.70) LMNAALDH1A1VCAM1THRBHTT
SCHEMBL11264900 0.74 TSHR (0.53) KMT2AMAPTMEN1KDM4ERAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 KMT2A 1865/4885MAPT 3389/4885MEN1 4753/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KMT2A 1865/4885MAPT 3389/4885MEN1 4753/4885

“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.