SCHEMBL4255397

SCHEMBL4255397

CCCCOc1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 4/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SIRT6 Q8N6T7 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PLA2G4B P0C869 1/20 0.46
POLB P06746 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
SCHEMBL267907 0.91 TDP1 (0.57) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL268658 0.89 TDP1 (0.55) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL8381314 0.86 MAPT (0.56) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL6565647 0.85 MAPT (0.55) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL10681005 0.85 MAPT (0.58) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL21707979 0.84 MAPT (0.60) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL268414 0.83 TDP1 (0.62) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL10784720 0.83 TDP1 (0.70) TDP1MAPTMAPK1KMT2ASIRT6
SCHEMBL14218373 0.83 MAPT (0.52) TDP1MAPTLMNAMAPK1KMT2A
SCHEMBL8628560 0.83 PTPN11 (0.60) MAPTAKR1C3AKR1C2AKR1C1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
CN-101370501-A Novel azacycly-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-02-18 CN disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007087717-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 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 (3 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-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TDP1 1792/4885MAPT 3171/4885LMNA 3643/4885
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT TDP1 4345/4885MAPT 4471/4885LMNA 4077/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TDP1 1792/4885MAPT 3171/4885LMNA 3643/4885

“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.