SCHEMBL1021189

SCHEMBL1021189

CCOc1cc(O)c2cccc(Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX5 P09917 4/20 0.37
PARP1 P09874 2/20 0.37
MAPK14 Q16539 2/20 0.36
HTR1A P08908 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15B O15296 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 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
SCHEMBL13248807 0.85 NR4A2 (0.40) NR4A2L3MBTL1PARP1KDM4EMAPT
SCHEMBL3373386 0.85 SMN1; SMN2 (0.44) NR4A2ALDH1A1POLBMAPK8PARP1
SCHEMBL13763738 0.84 ALDH1A1 (0.43) NR4A2ALDH1A1POLBMAPK8CDK1
SCHEMBL8273087 0.84 NR4A2 (0.45) NR4A2ALDH1A1POLBCDK1CCNB1
SCHEMBL8277736 0.84 KDM4E (0.48) ALDH1A1MAPK8L3MBTL1PARP1KDM4E
SCHEMBL3375748 0.83 NR4A2 (0.44) NR4A2PARP1KDM4ELMNAHSP90AA1
SCHEMBL15483739 0.82 NR4A2 (0.37) NR4A2ALDH1A1MAPK8CDK1CCNB1
SCHEMBL8145393 0.82 NR4A2 (0.37) NR4A2ALDH1A1POLBMAPK8PARP1
SCHEMBL13910873 0.82 MAPK8 (0.38) ALDH1A1POLBMAPK8L3MBTL1ALOX5
SCHEMBL8278958 0.82 MAPK8 (0.41) ALDH1A1POLBMAPK8ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-1910378-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-06-20 EP disclosed
EP-1771454-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2011-06-15 EP disclosed
EP-1730167-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed
EP-1730167-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP disclosed
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 US disclosed
US-20060019905-A1 inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 US disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
US-20050192212-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 US disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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 (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-20050192212-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, RNPEP, RNASE1 NR4A2 2940/4885ALDH1A1 3097/4885POLB 1971/4885
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs DPP3, CTSC, ANPEP NR4A2 1614/4885ALDH1A1 1136/4885POLB 2674/4885
US-20060019905-A1 inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide CPN1, HPN, CTSC NR4A2 2195/4885ALDH1A1 1891/4885POLB 4126/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885ALDH1A1 3957/4885POLB 57/4885

“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.