SCHEMBL1173880

SCHEMBL1173880

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
KIF11 P52732 2/20 0.46
SCN9A Q15858 1/20 0.44
GSK3B P49841 1/20 0.41
HTR2A P28223 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL6387931 0.87 HTR2A (0.44) PARP1SCN9AGSK3BHTR2ATUBB4A
SCHEMBL1173665 0.85 KIF11 (0.55) PARP1KIF11GSK3BHTR2AALDH1A1
SCHEMBL5444125 0.83 PARP1 (0.47) PARP1KIF11GSK3BHTR2AALDH1A1
SCHEMBL5443018 0.83 PARP1 (0.47) PARP1KIF11GSK3BHTR2AALDH1A1
SCHEMBL5198654 0.82 PARP1 (0.52) PARP1KIF11GSK3BHTR2AALDH1A1
SCHEMBL14448734 0.81 KIF11 (0.51) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL11961025 0.80 PARP1 (0.50) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL3247851 0.79 PARP1 (0.46) PARP1KIF11GSK3BHTR2AALDH1A1
SCHEMBL3744610 0.79 SCN9A (0.40) SCN9AGSK3BHTR2ATUBB4ATUBB
SCHEMBL3745604 0.79 SCN9A (0.38) SCN9AGSK3BHTR2ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
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-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 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
EP-1414441-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030176433-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-18 US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 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 (5 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-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors IDO1, HCCS, IDO2 PARP1 964/4885KIF11 2926/4885SCN9A 3800/4885
US-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 PARP1 1128/4885KIF11 3615/4885SCN9A 1198/4885
US-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H PARP1 281/4885KIF11 2251/4885SCN9A 949/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 PARP1 1909/4885KIF11 3992/4885SCN9A 1507/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 PARP1 905/4885KIF11 4385/4885SCN9A 655/4885

“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.