SCHEMBL3580870

SCHEMBL3580870

Cn1cc(C(=O)O)c2c(Br)cccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.41
NR4A2 P43354 1/20 0.41
CNR2 P34972 3/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.38
PRNP P04156 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL20604979 0.83 NR4A2 (0.59) NR4A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL28045859 0.83 POLB (0.41) POLBLMNANR4A2CNR2KMT2A
SCHEMBL7501630 0.83 KMT2A (0.40) POLBLMNANR4A2CNR2KMT2A
SCHEMBL23809127 0.81 CMA1 (0.47) POLBLMNANR4A2KMT2AALDH1A1
SCHEMBL2439783 0.80 POLB (0.47) POLBLMNANR4A2CNR2KMT2A
SCHEMBL17908066 0.78 ABCG2 (0.50) POLBNR4A2ALDH1A1MAPTHTT
SCHEMBL7846010 0.77 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL2035744 0.77 CNR1 (0.49) CNR2ALDH1A1MAPTCNR1
SCHEMBL31204983 0.75 HSD17B10 (0.43) POLBNR4A2KMT2AALDH1A1MAPT
SCHEMBL1925007 0.75 CNR2 (0.47) POLBLMNACNR2KMT2AMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 EP disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 CN disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 CN disclosed
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
CN-1726201-A Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2006-01-25 CN 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 (6 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 POLB 2458/4885LMNA 3021/4885NR4A2 2684/4885
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists HRH3, HRH4, HRH2 POLB 3171/4885LMNA 4262/4885NR4A2 491/4885
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 POLB 3375/4885LMNA 4344/4885NR4A2 256/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 POLB 2458/4885LMNA 3021/4885NR4A2 2684/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 POLB 2458/4885LMNA 3021/4885NR4A2 2684/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 POLB 2458/4885LMNA 3021/4885NR4A2 2684/4885

“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.