SCHEMBL330127

SCHEMBL330127

CC(C)Nc1nc(-c2ccc3c(c2)CNC3)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
AR P10275 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL586725 0.83 TYR (0.48) TYRRAB9AMAPTALDH1A1LMNA
SCHEMBL329882 0.77 RAB9A (0.56) RAB9AMAPTALDH1A1NPC1MEN1
SCHEMBL14539643 0.76 TYR (0.47) TYRRAB9AMAPTALDH1A1LMNA
SCHEMBL12767914 0.75 TYR (0.62) TYRRAB9AMAPTALDH1A1LMNA
SCHEMBL28757990 0.74 MAPT (0.40) RAB9AMAPTALDH1A1LMNANPC1
SCHEMBL24590457 0.74 MAOB (0.57) TYRRAB9AMAPTALDH1A1LMNA
SCHEMBL12767912 0.73 NPC1 (0.60) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL24590311 0.73 MEN1 (0.64) RAB9AMAPTALDH1A1NPC1MEN1
SCHEMBL24590352 0.73 TYR (0.67) TYRRAB9AMAPTALDH1A1LMNA
SCHEMBL24590360 0.73 NPY5R (0.57) TYRRAB9AMAPTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102020697-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication F. HOFFMANN-LA ROCHE LTD. (CH) 2014-10-29 CN disclosed
CN-103145715-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication HOFFMANN LA ROCHE 2013-06-12 CN disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
CN-102020697-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication INTERMUNE INC 2011-04-20 CN disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
WO-2007044893-A2 COMPOUNDS AND METHODS FOR INHIBITING HEPATITIS C VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-19 WO disclosed
CN-1938311-A Macrocyclic compounds as inhibitors of viral replication INTERMUNE INC (US) 2007-03-28 CN disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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 (2 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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 TYR 2968/4885RAB9A 3587/4885MAPT 4563/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 TYR 2968/4885RAB9A 3587/4885MAPT 4563/4885

“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.