SCHEMBL23809488

SCHEMBL23809488

CC(C)c1cn(C)c2ccc(C(=O)Nc3ccncc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
NT5E P21589 2/20 0.46
HASPIN Q8TF76 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL23809275 0.88 HASPIN (0.53) RAB9APOLBROCK1LMNAMAPK1
SCHEMBL26581283 0.84 POLB (0.54) KDM4ENPC1RAB9AL3MBTL1POLB
SCHEMBL23809273 0.83 GAA (0.49) ROCK2ROCK1LMNAALDH1A1MAPK1
SCHEMBL23809233 0.81 HDAC6 (0.45)
SCHEMBL1553984 0.81 PDE4D (0.50)
SCHEMBL23809485 0.81 NPC1 (0.55) KDM4ENPC1RAB9AL3MBTL1LMNA
SCHEMBL1554607 0.76 ACE2 (0.51) KDM4EALDH1A1
SCHEMBL23809408 0.76 GAA (0.47) KDM4ERAB9APOLBALDH1A1KMT2A
SCHEMBL1554429 0.76 MTNR1A (0.49) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL23809393 0.75 KDM4E (0.46) KDM4ENPC1ALDH1A1

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 KDM4E 1156/4885NPC1 2467/4885RAB9A 2887/4885

“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.