SCHEMBL4162822

SCHEMBL4162822

Cc1cc(C(=O)NCCN(C)C)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SETD7 Q8WTS6 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.49
USP2 O75604 1/20 0.48
HTR7 P34969 1/20 0.46
MAPK14 Q16539 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
ALOX5 P09917 1/20 0.45
NAMPT P43490 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7886628 0.92 HPGD (0.57) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL14435527 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL13091484 0.85 SMN1; SMN2 (0.57) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL9435241 0.83 HPGD (0.55) HTTHPGDALDH1A1KDM4EMAPK14
SCHEMBL6269732 0.82 HTT (0.65) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL12333662 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL9996871 0.82 HPGD (0.48) SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL14054114 0.82 CA1 (0.54) SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL15656703 0.82 ALDH1A1 (0.52) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL9300437 0.81 HPGD (0.60) SMN1; SMN2HPGDALDH1A1MAPTTP53

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 13 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
EP-1098892-A1 BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000005225-A1 BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 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 SMN1; SMN2 1744/4885HTT 1707/4885HPGD 2913/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 SMN1; SMN2 1744/4885HTT 1707/4885HPGD 2913/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 SMN1; SMN2 1744/4885HTT 1707/4885HPGD 2913/4885

“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.