SCHEMBL5221750

SCHEMBL5221750

CCn1ccc2c(N)cc(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
NR4A2 P43354 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TUBB4A P04350 1/20 0.38

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
Hydrochloric Acid SCHEMBL5222518 0.99 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16056355 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16899416 0.83 NOTUM (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20604845 0.83 HTR2C (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL17113154 0.81 USP2 (0.48) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6870182 0.81 POLB (0.43) KDM4EALDH1A1HPGDHSD17B10NR4A2
SCHEMBL14467647 0.81 NR4A2 (0.48) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16626804 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10NR4A2
SCHEMBL13500645 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL17113132 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
CN-106456602-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2020-11-24 CN disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
EP-3122353-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2017-02-01 EP disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 KDM4E 814/4885ALDH1A1 1900/4885HPGD 3158/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885ALDH1A1 3102/4885HPGD 2131/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 KDM4E 814/4885ALDH1A1 1900/4885HPGD 3158/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 KDM4E 814/4885ALDH1A1 1900/4885HPGD 3158/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 KDM4E 814/4885ALDH1A1 1900/4885HPGD 3158/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 KDM4E 814/4885ALDH1A1 1900/4885HPGD 3158/4885

“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.