SCHEMBL23809461

SCHEMBL23809461

CC(C)c1cn(C)c2ccc(-c3nc[nH]n3)cc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL26581403 0.82 NR4A2 (0.35) NR4A2
SCHEMBL20604953 0.81 HASPIN (0.42) NR4A2
SCHEMBL23809246 0.81 MEN1 (0.43) NR4A2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL23809227 0.79 TP53 (0.49) LMNAMAPTNPSR1TDP1
SCHEMBL23809165 0.78 MTNR1A (0.43) NR4A2MTNR1AMTNR1B
SCHEMBL23809218 0.77 DRD2 (0.42) NR4A2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL23809238 0.74 HSD17B2 (0.34) NR4A2MTNR1AMTNR1BKCNH2
SCHEMBL10308903 0.73 KDM4E (0.35) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL10308908 0.73 HDAC6 (0.38) LMNAMAPTTDP1
SCHEMBL23809402 0.73 L3MBTL1 (0.47) LMNAMAPT

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 NR4A2 2684/4885MTNR1A 1577/4885MTNR1B 1974/4885

“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.