SCHEMBL4172045

SCHEMBL4172045

O=C(O)c1[nH]c2c(N3CCC4(CC3)OCCO4)cccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.59
BCL2 P10415 4/20 0.56
ALB P02768 1/20 0.56
MARK3 P27448 2/20 0.53
NEK4 P51957 2/20 0.53
PRKCD Q05655 2/20 0.53
CAMK2B Q13554 2/20 0.53
CAMK2G Q13555 2/20 0.53
CAMK2D Q13557 2/20 0.53
MARK2 Q7KZI7 2/20 0.53
PIM3 Q86V86 2/20 0.53
HIPK2 Q9H2X6 2/20 0.53
MAP3K20 Q9NYL2 2/20 0.53
MAP4K5 Q9Y4K4 2/20 0.53
EEF2K O00418 1/20 0.53
AXL P30530 1/20 0.53
BCL6 P41182 1/20 0.53
PRKAA1 Q13131 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
BCL2L1 Q07817 3/20 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
SCHEMBL4167150 0.89 MCL1 (0.64) MCL1BCL2ALBMARK3NEK4
SCHEMBL19180744 0.88 MCL1 (0.45) MCL1BCL2ALBMARK3NEK4
SCHEMBL4162175 0.88 MCL1 (0.67) MCL1BCL2ALBMARK3NEK4
SCHEMBL4162390 0.87 MCL1 (0.66) MCL1BCL2ALBMARK3NEK4
SCHEMBL4158889 0.83 MCL1 (0.62) MCL1BCL2ALBMARK3NEK4
SCHEMBL4156563 0.82 MCL1 (0.69) MCL1BCL2ALBMARK3NEK4
SCHEMBL4165913 0.81 MCL1 (0.62) MCL1BCL2ALBMARK3NEK4
SCHEMBL4157077 0.81 MCL1 (0.58) MCL1BCL2ALBMARK3NEK4
SCHEMBL4162883 0.81 MCL1 (0.54) MCL1BCL2ALBMARK3NEK4
SCHEMBL4157956 0.79 MCL1 (0.70) MCL1BCL2ALBMARK3NEK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP claimed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US claimed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US claimed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP claimed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US claimed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO claimed
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-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-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US 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 (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-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885BCL2 14/4885ALB 3819/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885BCL2 14/4885ALB 3819/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885BCL2 14/4885ALB 3819/4885

“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.