SCHEMBL2592646

SCHEMBL2592646

O=C(O)c1cc(Br)cc2c1ccn2C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
AKR1C4 P17516 1/20 0.35
GLA P06280 1/20 0.34
HCAR3 P49019 1/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2588328 0.94 PIK3CD (0.39) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL2596068 0.84 OPRK1 (0.42) GAAALDH1A1OPRK1
SCHEMBL2592905 0.81 ALDH1A1 (0.41) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL2592735 0.78 PRPS1 (0.39) OPRK1
SCHEMBL20604814 0.73 PTPN1 (0.44) KDM4EHSD17B10MYCNR4A1AKR1C3
SCHEMBL2594585 0.72 OPRK1 (0.43) KDM4EHSD17B10AKR1C3AKR1C2AKR1C1
SCHEMBL7121601 0.71 KDM4E (0.69) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL2594898 0.70 NR4A1 (0.38) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL2587362 0.69 OPRK1 (0.39) KDM4EHSD17B10ALDH1A1HPGDPIK3CD
SCHEMBL14716794 0.69 OPRK1 (0.39) KDM4EHSD17B10ALDH1A1HPGDPIK3CD

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (2 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-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885HSD17B10 652/4885GAA 3907/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885HSD17B10 638/4885GAA 3880/4885

“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.