SCHEMBL3887377

SCHEMBL3887377

CC1CN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MGLL Q99685 1/20 0.49
PARP1 P09874 1/20 0.49
PKM P14618 1/20 0.48
ALOX5 P09917 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
GRM5 P41594 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
SCHEMBL1935843 0.88 HTT (0.60) L3MBTL1HTTHSD17B10GAA
SCHEMBL133281 0.88 HTT (0.60) L3MBTL1HTTHSD17B10GAA
SCHEMBL13753554 0.83 HPGD (0.59) L3MBTL1HTTCYP2D6CYP2C19ALDH1A1
SCHEMBL6282073 0.82 TPMT (0.43) L3MBTL1HTTCYP2D6ALDH1A1HSD17B10
SCHEMBL3456030 0.82 HPGD (0.66) L3MBTL1HTTCYP2D6CYP2C19ALDH1A1
SCHEMBL26828291 0.82 L3MBTL1 (0.59) L3MBTL1HTTCYP2D6CYP2C19ALDH1A1
SCHEMBL3898423 0.81 HTT (0.76) L3MBTL1HTTMGLLPARP1HSD17B10
SCHEMBL27894302 0.81 L3MBTL1 (0.55) L3MBTL1HTTALDH1A1HSD17B10GAA
SCHEMBL14884897 0.81 HTT (0.55) L3MBTL1HTTHSD17B10
SCHEMBL3889485 0.80 ALDH1A1 (0.60) L3MBTL1HTTALDH1A1PARP1HSD17B10

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 18 patents. 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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 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
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US 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-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
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 L3MBTL1 4484/4885HTT 4847/4885CYP2D6 4399/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 L3MBTL1 1981/4885HTT 4703/4885CYP2D6 2233/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 L3MBTL1 4739/4885HTT 3987/4885CYP2D6 690/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 L3MBTL1 2242/4885HTT 4703/4885CYP2D6 1015/4885

“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.