SCHEMBL695579

SCHEMBL695579

CCc1cc([N+](=O)[O-])cc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 5/20 0.41
LMNA P02545 1/20 0.41
ESPL1 Q14674 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
RORC P51449 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 3/20 0.37
NPBWR1 P48145 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MITF O75030 1/20 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
SCHEMBL6846642 0.86 ESPL1 (0.41) POLBHTTTSHRLMNAESPL1
SCHEMBL26688824 0.77 HTT (0.52) POLBHTTTSHRLMNAESPL1
SCHEMBL29187025 0.77 TDP1 (0.45) POLBHTTLMNAALDH1A1TDP1
SCHEMBL345760 0.76 HSD17B10 (0.48) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL351824 0.76 TSHR (0.48) HTTTSHRLMNAALDH1A1TDP1
SCHEMBL30945319 0.76 TSHR (0.48) HTTTSHRLMNAALDH1A1TDP1
SCHEMBL31536932 0.76 HSD17B10 (0.48) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL2227750 0.75 TSHR (0.48) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL27956507 0.75 MAPT (0.43) POLBHTTTSHRLMNAESPL1
SCHEMBL3213413 0.75 MAPT (0.49) POLBHTTTSHRLMNAESPL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 EP disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
WO-2015161924-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 WO disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
US-20050142602-A1 Methods of diagnosing multidrug resistant tuberculosis THE GOVT. U.S.A , AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-30 US disclosed
US-6905822-B2 Methods of diagnosing multidrug resistant tuberculosis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-14 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed
US-20030013090-A1 Methods of diagnosing multidrug resistant tuberculosis HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE, DEPARTMENT OF THE, THE 2003-01-16 US disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 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 (4 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-20130196975-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 POLB 3602/4885HTT 3311/4885TSHR 418/4885
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT POLB 1775/4885HTT 579/4885TSHR 3877/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 POLB 159/4885HTT 4504/4885TSHR 3884/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 POLB 159/4885HTT 4504/4885TSHR 3884/4885

“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.