SCHEMBL23809376

SCHEMBL23809376

CC(C)c1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.55
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
HCAR3 P49019 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
KDM4A O75164 1/20 0.42
BBOX1 O75936 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
ASPH Q12797 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
KDM8 Q8N371 1/20 0.42
TET1 Q8NFU7 1/20 0.42

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
SCHEMBL22304443 0.86 KDM4E (0.43) ACE2KDM4EIP6K1
SCHEMBL4641324 0.79 TDP1 (0.50) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL27960117 0.79 KDM4E (0.46) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL25820138 0.78 TRPV1 (0.45) ACE2TDP1LMNAHCAR3KDM4E
SCHEMBL10464811 0.77 LMNA (0.62) ACE2TDP1LMNAKDM4EKDM6B
SCHEMBL14332932 0.77 KDM4E (0.47) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL28557886 0.76 ALDH1A1 (0.46) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL7689552 0.76 TSHR (0.48) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL440165 0.76 SMYD3 (0.59) TDP1LMNAKDM4EKDM6BTET3
SCHEMBL1285313 0.76 KDM4E (0.46) TDP1LMNAKDM4EKDM6BTET3

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 ACE2 4387/4885TDP1 1235/4885LMNA 3021/4885

“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.