SCHEMBL6368385

SCHEMBL6368385

CC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCN5A Q14524 2/20 0.38
DRD3 P35462 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL899942 0.90 SCN9A (0.42) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL2276096 0.88 SCN9A (0.44) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL1260037 0.86 SCN9A (0.45) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL13662214 0.85 SCN9A (0.43) SCN9ASCN5ADRD3
SCHEMBL1260642 0.85 SCN9A (0.46) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL900238 0.83 SCN9A (0.41) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL1981364 0.83 SCN9A (0.41) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL13286194 0.82 MEN1 (0.36) SCN9AHDAC1HDAC8HDAC6SCN5A
SCHEMBL6368381 0.81 SCN9A (0.48) SCN9ACYP3A4CYP2C19
SCHEMBL15294528 0.81 ESR1 (0.41) SCN9AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
EP-2530082-A1 Process for preparing 2, 3-disubstituted indoles Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
US-7642352-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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 (7 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-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES DCLK2, DCLK1, TTL SCN9A 2090/4885HDAC1 1997/4885HDAC8 3772/4885
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 SCN9A 829/4885HDAC1 289/4885HDAC8 1251/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST SCN9A 400/4885HDAC1 2728/4885HDAC8 586/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 SCN9A 3205/4885HDAC1 375/4885HDAC8 989/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 SCN9A 651/4885HDAC1 813/4885HDAC8 2445/4885
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 SCN9A 3837/4885HDAC1 464/4885HDAC8 986/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 SCN9A 829/4885HDAC1 289/4885HDAC8 1251/4885

“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.