SCHEMBL23809141

SCHEMBL23809141

Cc1nc(CN2CCCC2)nc(C)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
TMEM97 Q5BJF2 7/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1B Q00975 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23808976 0.86 ALDH1A1 (0.41) SIGMAR1LMNAKDM4EALDH1A1HTT
SCHEMBL23809035 0.84 ALOX15 (0.43) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL23809108 0.84 CXCR4 (0.39) SIGMAR1LMNAKDM4EALDH1A1HTT
SCHEMBL26043540 0.80 LMNA (0.49) SIGMAR1LMNAKDM4EALDH1A1HTT
SCHEMBL23809134 0.79 HRH3 (0.44) LMNAALDH1A1TSHRL3MBTL1
SCHEMBL23809110 0.79 LMNA (0.37) SIGMAR1LMNAALDH1A1TMEM97
SCHEMBL26038289 0.77 LMNA (0.43) SIGMAR1LMNAKDM4EALDH1A1HTT
SCHEMBL23809138 0.76 ALDH1A1 (0.40) KDM4EALDH1A1HTTMAPK1
SCHEMBL15429567 0.76 SIGMAR1 (0.42) SIGMAR1LMNAKDM4EALDH1A1HTT
SCHEMBL23809104 0.75 NPSR1 (0.38) SIGMAR1KDM4EALDH1A1HTTTMEM97

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 SIGMAR1 2832/4885LMNA 3021/4885KDM4E 1156/4885

“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.