SCHEMBL23809446

SCHEMBL23809446

CC(C)c1cn(C)c2ccc(C(=O)N3CCCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.49
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL26581291 0.82 HPGD (0.55) CNR2HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1554607 0.80 ACE2 (0.51) HPGDALDH1A1
SCHEMBL1553090 0.79 MTNR1A (0.42)
SCHEMBL23809393 0.79 KDM4E (0.46) SMN1; SMN2ALDH1A1NPC1
SCHEMBL23809270 0.77 PDE9A (0.41) HPGDSMN1; SMN2ALDH1A1HSP90AA1HSP90AB1
SCHEMBL1554429 0.77 MTNR1A (0.49) HPGDALDH1A1MEN1KMT2A
SCHEMBL23809233 0.77 HDAC6 (0.45)
SCHEMBL12545839 0.75 HPGD (0.63) CNR2HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL19185792 0.75 HPGD (0.59) CNR2HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL15044968 0.73 MEN1 (0.54) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A

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 CNR2 3259/4885HPGD 3190/4885SMN1; SMN2 1682/4885

“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.