SCHEMBL4165663

SCHEMBL4165663

CCOC(=O)c1[nH]c2c(-c3ccccc3C)cccc2c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
ALDH1A1 P00352 8/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 4/20 0.47
MCL1 Q07820 2/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CDC7 O00311 1/20 0.43
MARK3 P27448 1/20 0.43
AXL P30530 1/20 0.43
FRK P42685 1/20 0.43
BLK P51451 1/20 0.43
NEK4 P51957 1/20 0.43
PRKCD Q05655 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43

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
SCHEMBL24455504 0.82 ALOX5 (0.41) ALOX5PTGESALDH1A1HPGDGAA
SCHEMBL18919709 0.80 ALDH1A1 (0.44) ALOX5ALDH1A1HPGDGAAMCL1
SCHEMBL30797259 0.78 KDM4E (0.63) ALDH1A1HPGDGAARAB9AKDM4E
SCHEMBL2724382 0.78 KDM4E (0.63) ALDH1A1HPGDGAARAB9AKDM4E
SCHEMBL18919707 0.78 PDK2 (0.47) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL18919754 0.75 NR4A2 (0.52) ALDH1A1HPGDGAAMCL1LMNA
SCHEMBL1254811 0.75 MCL1 (0.51) ALDH1A1HPGDGAAMCL1LMNA
SCHEMBL4040916 0.74 GAA (0.63) ALOX5PTGESALDH1A1HPGDGAA
SCHEMBL2205697 0.74 KDM4E (0.57) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL4168669 0.74 RAB9A (0.59) ALOX5PTGESALDH1A1HPGDGAA

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 11 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
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 ALOX5 3867/4885PTGES 4084/4885ALDH1A1 2525/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 ALOX5 3867/4885PTGES 4084/4885ALDH1A1 2525/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 ALOX5 3867/4885PTGES 4084/4885ALDH1A1 2525/4885

“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.