SCHEMBL3898423

SCHEMBL3898423

Cc1cccc(C(=O)N2CC2C)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.52
ENPP3 O14638 1/20 0.50
ALPL P05186 1/20 0.50
XIAP P98170 1/20 0.50
PARP1 P09874 1/20 0.50
HSD17B10 Q99714 1/20 0.49
BCHE P06276 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL133281 0.89 HTT (0.60) HTTL3MBTL1HPGDNPC1HSD17B10
SCHEMBL1935843 0.89 HTT (0.60) HTTL3MBTL1HPGDNPC1HSD17B10
SCHEMBL18377899 0.85 HTT (0.70) HTTL3MBTL1HPGDLMNANPC1
SCHEMBL13753569 0.83 HTT (0.67) HTTL3MBTL1HPGDNPC1PARP1
SCHEMBL27894302 0.83 L3MBTL1 (0.55) HTTL3MBTL1HPGDNPC1HSD17B10
SCHEMBL14884897 0.83 HTT (0.55) HTTL3MBTL1HSD17B10
SCHEMBL3890994 0.82 ALDH1A1 (0.59) HTTL3MBTL1HPGDLMNA
SCHEMBL8053458 0.82 HPGD (0.68) HTTL3MBTL1HPGDLMNANPC1
SCHEMBL3887377 0.81 L3MBTL1 (0.54) HTTL3MBTL1PARP1HSD17B10MGLL
SCHEMBL10329768 0.81 HTT (0.65) HTTL3MBTL1HPGDENPP3ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
EP-1180518-B1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-01-17 EP disclosed
US-7101899-B1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof OHKAWA SHIGENORI 2006-06-22 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1180518-A1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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 (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-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 HTT 3539/4885L3MBTL1 4166/4885HPGD 515/4885
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 HTT 2225/4885L3MBTL1 3933/4885HPGD 337/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 HTT 3498/4885L3MBTL1 4063/4885HPGD 608/4885

“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.