SCHEMBL23809472

SCHEMBL23809472

COc1ccc(C(C)C)c2c1c(C)c(C(N)=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FLT3 P36888 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL26037786 0.88 CYP19A1 (0.38) CYP19A1NQO2CA1CA2CA7
SCHEMBL26581394 0.83 CYP19A1 (0.44) CYP19A1NQO2NPSR1MAPTALDH1A1
SCHEMBL23809479 0.73 KMT2A (0.44) CA1CA2CA7CA9MAPT
SCHEMBL26581499 0.71 CYP19A1 (0.45) CYP19A1NQO2CA1CA2CA7
SCHEMBL26048303 0.70 CYP19A1 (0.41) CYP19A1NQO2NPSR1MAPTALDH1A1
SCHEMBL13895732 0.63 MAPK1 (0.59) CA1CA2CA7CA9MAPT
SCHEMBL18090937 0.63 MAPK1 (0.59) CA1CA2CA7CA9MAPT
SCHEMBL23809515 0.63 ATM (0.39) MAPTALDH1A1ATMSMN1; SMN2MCL1
SCHEMBL12552006 0.62 CA1 (0.44) CA1CA2CA7CA9MAPT
SCHEMBL17345135 0.62 GAA (0.46) CA1CA2CA7CA9MAPT

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 CYP19A1 4446/4885NQO2 2452/4885CA1 4679/4885

“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.