SCHEMBL3189588

SCHEMBL3189588

OCCOc1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NSD2 O96028 1/20 0.45
NSD3 Q9BZ95 1/20 0.45
USP28 Q96RU2 1/20 0.43
AAK1 Q2M2I8 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
HPGD P15428 1/20 0.41
NMUR2 Q9GZQ4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL15300823 0.91 KDM4E (0.44) KDM4EPOLBPKMNSD2NSD3
SCHEMBL7769950 0.87 NSD2 (0.46) KDM4EPOLBPKMNSD2NSD3
SCHEMBL2094492 0.85 KDM4E (0.47) KDM4EPOLBPKMNSD2NSD3
SCHEMBL1824099 0.83 NSD2 (0.46) KDM4EPOLBPKMNSD2NSD3
SCHEMBL5881114 0.81 HPGD (0.55) KDM4EPOLBNSD2NSD3AAK1
SCHEMBL27738395 0.81 NSD2 (0.45) KDM4EPOLBPKMNSD2NSD3
SCHEMBL1821512 0.81 NSD2 (0.45) KDM4EPOLBPKMNSD2NSD3
SCHEMBL848521 0.81 NSD2 (0.45) KDM4EPOLBPKMNSD2NSD3
SCHEMBL3864712 0.81 ALOX5AP (0.44) POLBHPGDPRKAB2PRKAG1PRKAA2
SCHEMBL5831914 0.81 MAPK1 (0.54) PTGDR2HPGDL3MBTL1

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
EP-2836490-B1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER (US) 2017-06-14 EP disclosed
US-9394285-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2016-07-19 US disclosed
US-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PFIZER, INC. (US) 2016-01-21 US disclosed
EP-2970177-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK Pfizer Inc. (US) 2016-01-20 EP disclosed
EP-2836490-A2 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK Pfizer Inc. (US) 2015-02-18 EP disclosed
US-20150038484-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2015-02-05 US disclosed
US-8889730-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2014-11-18 US disclosed
WO-2014140704-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2014-09-18 WO disclosed
WO-2013153479-A2 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-17 WO disclosed
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-10 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
CN-100418944-C Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2008-09-17 CN disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
CN-1751019-A Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2006-03-22 CN disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (6 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-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PRKAG1, PRKAG3, PRKAG2 KDM4E 2015/4885POLB 3249/4885PKM 360/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A KDM4E 2845/4885POLB 3425/4885PKM 3366/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885POLB 3869/4885PKM 3482/4885
US-20150038484-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PRKAG1, PRKAG3, PRKAG2 KDM4E 2015/4885POLB 3249/4885PKM 360/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885POLB 3869/4885PKM 3482/4885
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PRKAG1, PRKAG3, PRKAG2 KDM4E 2015/4885POLB 3249/4885PKM 360/4885

“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.