SCHEMBL3890994

SCHEMBL3890994

Cc1cc(C)cc(C(=O)N2CC2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.52
TPMT P51580 1/20 0.45
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CPS1 P31327 1/20 0.40
TP53 P04637 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6601480 0.93 TPMT (0.59) ALDH1A1NPSR1HTTL3MBTL1HPGD
SCHEMBL3898423 0.82 HTT (0.76) HTTL3MBTL1HPGDLMNA
SCHEMBL5200455 0.80 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1HPGDGAA
SCHEMBL17098969 0.79 GAA (0.60) ALDH1A1HTTL3MBTL1HPGDGAA
SCHEMBL6282073 0.78 TPMT (0.43) ALDH1A1NPSR1HTTL3MBTL1HPGD
SCHEMBL133281 0.76 HTT (0.60) HTTL3MBTL1HPGDGAAKMT2A
SCHEMBL1935843 0.76 HTT (0.60) HTTL3MBTL1HPGDGAAKMT2A
SCHEMBL6279792 0.76 ALDH1A1 (0.59) ALDH1A1NPSR1HTTL3MBTL1HPGD
SCHEMBL2823144 0.74 DHODH (0.51) ALDH1A1HTTL3MBTL1
SCHEMBL252505 0.73 ACHE (0.55) ALDH1A1HTTL3MBTL1HPGDGAA

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 21 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-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-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
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 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 (4 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ALDH1A1 3345/4885NPSR1 1144/4885HTT 4847/4885
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 ALDH1A1 1417/4885NPSR1 361/4885HTT 3539/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885NPSR1 1438/4885HTT 3987/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 ALDH1A1 1357/4885NPSR1 370/4885HTT 3498/4885

“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.