SCHEMBL4158209

SCHEMBL4158209

O=C(O)c1[nH]c2c(-c3ccc(C(=O)N4CCOCC4)cc3C(F)(F)F)cccc2c1CCCCN1CCSc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RORC P51449 1/20 0.35
CNR2 P34972 1/20 0.34
CDC7 O00311 1/20 0.34
MARK3 P27448 1/20 0.34
AXL P30530 1/20 0.34
FRK P42685 1/20 0.34
BLK P51451 1/20 0.34
NEK4 P51957 1/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL4171899 0.89 MCL1 (0.39) ALDH1A1PDCD1CD274HPGDMAPT
SCHEMBL4174801 0.88 PDCD1 (0.37) PDCD1CD274HPGDRORCCNR2
SCHEMBL4161321 0.87 MCL1 (0.41) PDCD1CD274HPGDRORCCNR2
SCHEMBL4168704 0.87 PDCD1 (0.38) PDCD1CD274HPGDRORCCNR2
SCHEMBL4163250 0.87 MCL1 (0.42) PDCD1CD274HPGDRORCCNR2
SCHEMBL4156731 0.83 RORC (0.35) PDCD1CD274HPGDRORCCNR2
SCHEMBL4170743 0.83 MCL1 (0.38) PDCD1CD274KDM4EMAPTRORC
SCHEMBL4168681 0.82 PDCD1 (0.37) PDCD1CD274HPGDRORCCNR2
SCHEMBL4166306 0.81 KDM4E (0.39) ALDH1A1HPGDKDM4ELMNARORC
SCHEMBL4175502 0.81 MCL1 (0.38) PDCD1CD274HPGDCNR2CDC7

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-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP claimed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP claimed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US claimed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US claimed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US claimed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US 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 ALDH1A1 2525/4885CYP2C9 4838/4885CYP2C19 4837/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 ALDH1A1 2525/4885CYP2C9 4838/4885CYP2C19 4837/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 ALDH1A1 2525/4885CYP2C9 4838/4885CYP2C19 4837/4885

“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.