SCHEMBL329882

SCHEMBL329882

Cc1nc(-c2ccc3c(c2)CNC3)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 4/20 0.56
MMP12 P39900 1/20 0.56
ALDH1A1 P00352 4/20 0.54
GAA P10253 4/20 0.54
RECQL P46063 3/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
ESR2 Q92731 1/20 0.54
TRIM24 O15164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3B P49841 1/20 0.51
AURKB Q96GD4 1/20 0.51
TSHR P16473 1/20 0.49
GFER P55789 1/20 0.48

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
SCHEMBL18611250 0.79 ALDH1A1 (0.69) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL22334909 0.79 ALDH1A1 (0.65) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL586497 0.79 ALDH1A1 (0.55) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL330127 0.77 TYR (0.47) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL28757990 0.76 MAPT (0.40) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL3873312 0.75 CYP2E1 (0.43) RAB9ANPC1
SCHEMBL9095198 0.75 MAPT (0.66) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL1764528 0.73 GAA (0.64) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL1559008 0.73 MAPT (0.79) RAB9ANPC1MAPTMMP12ALDH1A1
SCHEMBL3875278 0.72 ASIC3 (0.38) ALDH1A1GAAHPGDKDM4EHTT

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 32 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
CN-1889970-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC 2012-06-13 CN 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-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US 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
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN 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 RAB9A 3587/4885NPC1 598/4885MAPT 4563/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 RAB9A 3587/4885NPC1 598/4885MAPT 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.