SCHEMBL4168121

SCHEMBL4168121

Cc1cc(C(=O)NCCN2CCOCC2)ccc1Br

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
MAPK1 P28482 1/20 0.64
HBB P68871 1/20 0.64
CYP2C19 P33261 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CD274 Q9NZQ7 5/20 0.62
ALDH1A1 P00352 1/20 0.62
HTR1A P08908 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
KCNH2 Q12809 1/20 0.62
KDM4E B2RXH2 1/20 0.61
CYP2C9 P11712 1/20 0.60
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL7978285 0.89 NPSR1 (0.65) POLBCYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL14435528 0.89 POLB (1.00) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL20073201 0.83 POLB (0.76) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL19175419 0.83 POLB (0.80) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL6034019 0.82 TSHR (0.85) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL280240 0.82 MEN1 (0.76) POLBMAPK1CYP2C19CD274ALDH1A1
SCHEMBL6569882 0.80 CD274 (0.77) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL279958 0.80 CYP2C19 (0.72) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL2739971 0.79 POLB (0.69) POLBCYP2D6CD274ALDH1A1HTR1A
SCHEMBL16574185 0.79 CD274 (0.79) POLBCYP2C19CD274ALDH1A1HTR1A

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 12 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
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 CN 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 POLB 2044/4885MAPK1 2168/4885HBB 4202/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 POLB 2044/4885MAPK1 2168/4885HBB 4202/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 POLB 2044/4885MAPK1 2168/4885HBB 4202/4885

“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.