SCHEMBL1023006

SCHEMBL1023006

CCOc1cc(O)c2cccc(OC)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ADORA2B P29275 1/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL13201932 0.87 KDM4E (0.47) KDM4EPDE10AALDH1A1HPGDHSD17B10
SCHEMBL8271704 0.84 MAPT (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13763563 0.83 PDE10A (0.43) KDM4EPDE10AALDH1A1HPGDHSD17B10
SCHEMBL8272310 0.83 KDM4E (0.47) KDM4EPDE10AALDH1A1HPGDHSD17B10
SCHEMBL8277736 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13409396 0.82 KDM4E (0.43) KDM4EPDE10AALDH1A1HPGDHSD17B10
SCHEMBL1023279 0.82 PDE4A (0.39) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL1952047 0.82 USP2 (0.39) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL13910873 0.81 MAPK8 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2ADORA2B
SCHEMBL8278958 0.81 MAPK8 (0.41) KDM4EALDH1A1HPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910378-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-06-20 EP disclosed
EP-1730167-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
EP-1910378-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
EP-1730167-A4 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2008-04-09 EP 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-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
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 (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-20050192212-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, RNPEP, RNASE1 KDM4E 2928/4885PDE10A 3754/4885ALDH1A1 3097/4885
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs DPP3, CTSC, ANPEP KDM4E 3511/4885PDE10A 3887/4885ALDH1A1 1136/4885
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 KDM4E 414/4885PDE10A 1229/4885ALDH1A1 1891/4885

“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.