SCHEMBL23809267

SCHEMBL23809267

CC(=O)N1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CD O00329 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
SCHEMBL23809525 0.89 HRH3 (0.41) HRH3MAPK1MAPTMEN1KMT2A
SCHEMBL23809265 0.83 PIK3CD (0.39) MAPK1MAPTMEN1KMT2AATM
SCHEMBL23809299 0.82 MEN1 (0.43) HRH3MAPK1MAPTMEN1KMT2A
SCHEMBL26037684 0.81 HSP90AA1 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL23809497 0.80 ALDH1A1 (0.36) HRH3MAPK1MEN1KMT2AALDH1A1
SCHEMBL23809293 0.78 MEN1 (0.40) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL26037572 0.77 HRH3 (0.39) HRH3MEN1KMT2AALDH1A1KDM4E
SCHEMBL23809431 0.76 MAPT (0.43) HRH3MAPTMEN1KMT2AALDH1A1
SCHEMBL23809489 0.75 HSD17B10 (0.46) MAPK1KMT2AALDH1A1KDM4EHPGD
SCHEMBL26581391 0.73 POLB (0.42) HRH3ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 US 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HRH3 4257/4885MAPK1 1843/4885MAPT 2996/4885

“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.