SCHEMBL26037604

SCHEMBL26037604

Cc1cc(CN2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PIK3CD O00329 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC2A1 P11166 1/20 0.34
PARP1 P09874 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
P2RX7 Q99572 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MCL1 Q07820 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCR2 P41597 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL23809265 0.87 PIK3CD (0.39) KDM4EALDH1A1HPGDHSD17B10PIK3CD
SCHEMBL26581391 0.83 POLB (0.42) KDM4EALDH1A1HPGDHSD17B10GPR35
SCHEMBL30547771 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HDAC8
SCHEMBL3053204 0.71 GAA (0.47) KDM4EALDH1A1PIK3CDMAPK1
SCHEMBL23809503 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26581225 0.70 HSD17B10 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL23809525 0.69 HRH3 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL23809267 0.68 HRH3 (0.43) KDM4EALDH1A1HPGDHSD17B10PIK3CD
SCHEMBL221818 0.68 MC4R (0.58) ALDH1A1PIK3CDSLC2A1
SCHEMBL26590715 0.67 MEN1 (0.38) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885ALDH1A1 2556/4885HPGD 3190/4885

“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.