SCHEMBL3889485

SCHEMBL3889485

CC1CN1C(=O)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 5/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL3 Q96JM7 6/20 0.50
L3MBTL4 Q8NA19 1/20 0.50
KMT5A Q9NQR1 1/20 0.50
MBTD1 Q05BQ5 2/20 0.49
PLAU P00749 1/20 0.49
PARP1 P09874 1/20 0.49
HSD17B10 Q99714 1/20 0.47
BCHE P06276 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HSD11B1 P28845 1/20 0.46

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 0.88 HTT (0.60) HPGDL3MBTL1HTTL3MBTL3HSD17B10
SCHEMBL1935843 0.88 HTT (0.60) HPGDL3MBTL1HTTL3MBTL3HSD17B10
SCHEMBL13753499 0.83 HPGD (0.59) ALDH1A1TP53HPGDL3MBTL1HTT
SCHEMBL27894302 0.81 L3MBTL1 (0.55) ALDH1A1HPGDL3MBTL1HTTL3MBTL3
SCHEMBL14884897 0.81 HTT (0.55) L3MBTL1HTTHSD17B10
SCHEMBL3898423 0.81 HTT (0.76) HPGDL3MBTL1HTTPARP1HSD17B10
SCHEMBL3887757 0.81 HTT (0.51) ALDH1A1TP53L3MBTL1HTTPARP1
SCHEMBL3887377 0.80 L3MBTL1 (0.54) ALDH1A1L3MBTL1HTTPARP1HSD17B10
SCHEMBL3889887 0.80 PIK3CD (0.60) ALDH1A1HPGDL3MBTL1HTTPARP1
SCHEMBL13243246 0.79 HPGD (0.52) HPGDL3MBTL1L3MBTL3HSD11B1

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 9 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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ALDH1A1 3345/4885TP53 3237/4885HPGD 308/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 ALDH1A1 1660/4885TP53 980/4885HPGD 1492/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 ALDH1A1 2596/4885TP53 529/4885HPGD 1987/4885

“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.