SCHEMBL4175228

SCHEMBL4175228

COc1ccc(Cn2c(C#N)c(CCCOc3cccc4ccccc34)c3cccc(Br)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
BCL2 P10415 4/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
ALB P02768 1/20 0.36
KCNA3 P22001 1/20 0.36
DRD4 P21917 1/20 0.35

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
SCHEMBL4153897 0.88 MCL1 (0.49) MCL1SIRT2HTR1AHTR1DHTR1B
SCHEMBL4175192 0.82 MCL1 (0.55) MCL1SIRT2BCL2BCL2L1BAD
SCHEMBL4170176 0.81 MCL1 (0.54) MCL1SIRT2BCL2BCL2L1BAD
SCHEMBL4164254 0.72 MCL1 (0.66) MCL1BCL2BCL2L1BADALB
SCHEMBL4164635 0.68 MCL1 (0.45) MCL1SIRT2HTR1AHTR1DHTR1B
SCHEMBL4175366 0.67 MCL1 (0.49) MCL1BCL2BCL2L1BADALB
SCHEMBL4173496 0.66 MCL1 (0.48) MCL1BCL2BCL2L1BADALB
SCHEMBL2201248 0.64 MCL1 (0.88) MCL1BCL2BCL2L1BADALB
SCHEMBL15619225 0.64 KMT2A (0.57) MCL1HTR1DHTR1BKCNA3
SCHEMBL2205717 0.64 MCL1 (0.64) MCL1SIRT2LMNATP53HTT

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 9 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-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
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US 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 1/4885SIRT2 2076/4885HTR1A 1631/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885SIRT2 2076/4885HTR1A 1631/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885SIRT2 2076/4885HTR1A 1631/4885

“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.