SCHEMBL17113016

SCHEMBL17113016

COC(=O)c1cc(CN)nc(NCCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
HRH4 Q9H3N8 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CB P42338 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL3715043 0.83 HRH4 (0.46) GAAHRH4KDM4EALDH1A1ESR1
SCHEMBL13350408 0.79 KDM4E (0.53) GAAKDM4EALDH1A1LOXL2HSD17B10
SCHEMBL17113284 0.78 MAPK1 (0.45) ALDH1A1HSD17B10PIK3CAPIK3CBCA1
SCHEMBL9069519 0.74 KDM4E (0.49) GAAKDM4EALDH1A1LOXL2HSD17B10
SCHEMBL17545110 0.73 KDM4E (0.47) GAAKDM4EALDH1A1LOXL2HSD17B10
SCHEMBL17544467 0.73 KDM4E (0.47) GAAKDM4EALDH1A1LOXL2CA12
SCHEMBL17113134 0.72 ALDH1A1 (0.47) GAAKDM4EALDH1A1LOXL2CA12
SCHEMBL17544945 0.72 KDM4E (0.50) GAAKDM4EALDH1A1LOXL2HSD17B10
SCHEMBL28850425 0.72 KDM4E (0.69) GAAKDM4EALDH1A1LOXL2CA12
SCHEMBL17545018 0.72 KDM4E (0.46) GAAKDM4EALDH1A1LOXL2HSD17B10

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 8 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 GAA 4009/4885HRH4 4532/4885KDM4E 814/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GAA 4009/4885HRH4 4532/4885KDM4E 814/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 GAA 4009/4885HRH4 4532/4885KDM4E 814/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GAA 4009/4885HRH4 4532/4885KDM4E 814/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 GAA 4009/4885HRH4 4532/4885KDM4E 814/4885

“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.