SCHEMBL4171501

SCHEMBL4171501

O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
KMT2A Q03164 3/20 0.58
GLA P06280 1/20 0.58
PKM P14618 1/20 0.55
MLYCD O95822 1/20 0.55
LRRK2 Q5S007 2/20 0.54
ERN1 O75460 1/20 0.54
HPGD P15428 3/20 0.52
EPHX2 P34913 2/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PHGDH O43175 1/20 0.51
DNMT1 P26358 1/20 0.51
PTPN7 P35236 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NSD2 O96028 1/20 0.51
NR4A1 P22736 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL4163446 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1KMT2APKMMLYCD
SCHEMBL332889 0.82 KMT2A (0.60) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL31533272 0.82 KMT2A (0.60) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL9996956 0.81 KMT2A (0.60) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL13122949 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL9999224 0.81 KMT2A (0.59) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL9996865 0.81 HSP90AA1 (0.63) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL4160596 0.80 ALDH1A1 (0.67) HSP90AA1HSP90AB1KMT2AERN1HPGD
SCHEMBL2378109 0.79 HPGD (0.67) HSP90AA1HSP90AB1KMT2AGLAPKM
SCHEMBL2376773 0.79 PKM (0.75) HSP90AA1HSP90AB1KMT2AGLAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR HSP90AA1 3792/4885HSP90AB1 3508/4885KMT2A 3323/4885
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HSP90AA1 620/4885HSP90AB1 255/4885KMT2A 2554/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HSP90AA1 620/4885HSP90AB1 255/4885KMT2A 2554/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HSP90AA1 620/4885HSP90AB1 255/4885KMT2A 2554/4885

“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.