SCHEMBL3036356

SCHEMBL3036356

COC(=O)c1[nH]c2cc(OC)ccc2c1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
HSD17B10 Q99714 4/20 0.70
MAPT P10636 4/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 3/20 0.70
ALOX15 P16050 2/20 0.70
HPGD P15428 2/20 0.70
USP2 O75604 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
TUBB4A P04350 4/20 0.52
TUBB P07437 4/20 0.52
TUBA3C P0DPH7 4/20 0.52
TUBA1B P68363 4/20 0.52
TUBA4A P68366 4/20 0.52
TUBB4B P68371 4/20 0.52
TUBB3 Q13509 4/20 0.52

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
SCHEMBL3884470 0.85 KDM4E (0.58) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL20571055 0.85 ALDH1A1 (0.50) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL3877334 0.84 KDM4E (0.51) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL3023269 0.83 KDM4E (0.50) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL24482983 0.82 NR4A2 (0.54) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL6923911 0.82 KDM4E (1.00) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL4877545 0.80 KDM4E (0.67) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL34463677 0.78 MEN1 (0.58) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL3879382 0.78 MEN1 (0.58) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL5193898 0.78 KDM4E (0.64) KDM4EHSD17B10MAPTALDH1A1GAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 EP 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH KDM4E 3207/4885HSD17B10 138/4885MAPT 4097/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 KDM4E 1397/4885HSD17B10 201/4885MAPT 4137/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885HSD17B10 761/4885MAPT 791/4885

“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.