SCHEMBL23809202

SCHEMBL23809202

CC(C)c1cccc2cc(C(N)=O)n(Cc3ccccn3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA1D P25100 1/20 0.39
PLA2G2A P14555 1/20 0.38
GABRA5 P31644 3/20 0.38
PLA2G10 O15496 2/20 0.38
GABRA1 P14867 2/20 0.38
F10 P00742 1/20 0.37
BRD4 O60885 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MCL1 Q07820 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR2 P41597 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
SCHEMBL23809410 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL23809474 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL26581379 0.85 BRD4 (0.47) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL23809163 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL26581397 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL23809353 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL23809222 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL23809305 0.77 CCR9 (0.44) ALDH1A1MCL1CCR2
SCHEMBL26037836 0.76 TSHR (0.45) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL31300585 0.76 PLA2G2A (0.47) KDM4EALDH1A1HPGDTSHRMAPK1

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 1156/4885ALDH1A1 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.