SCHEMBL1174499

SCHEMBL1174499

O=C(O)/C=C/c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
MAOB P27338 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GPR35 Q9HC97 1/20 0.50
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
ATM Q13315 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ERN1 O75460 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL3295983 0.85 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL42323 0.85 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL820084 0.85 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL10673342 0.85 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL5595081 0.84 MAPT (0.73) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL6785545 0.84 MAPT (0.73) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL5595086 0.84 MAPT (0.73) MAPTMAOBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL27758234 0.83 MAPT (0.97) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL11109921 0.83 MAPT (0.71) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL15709280 0.83 MAPT (0.71) MAPTMAOBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO 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-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H MAPT 59/4885MAOB 1321/4885MEN1 3492/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A MAPT 45/4885MAOB 323/4885MEN1 2630/4885

“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.