SCHEMBL30220697

SCHEMBL30220697

COC(=O)c1cc2cc(C=O)cc(Br)c2n1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
XDH P47989 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
PTGS2 P35354 1/20 0.30
KRAS P01116 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
SCHEMBL23799922 0.84 NR1H2 (0.37) ALDH1A1XDHMAPK1
SCHEMBL31300761 0.83 XDH (0.47) ALDH1A1XDHL3MBTL1KDM4EGAA
SCHEMBL23800453 0.72 IGF1R (0.35) ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL20605116 0.70 ALDH1A1 (0.38) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL20604800 0.68 TSHR (0.39) ALDH1A1KDM4EGAA
SCHEMBL23799465 0.68 XDH (0.42) XDHL3MBTL1MAPT
SCHEMBL20605084 0.66 XDH (0.49) ALDH1A1XDHL3MBTL1KDM4EGAA
SCHEMBL2511971 0.65 PTPN1 (0.45) ALDH1A1XDHMAPK1L3MBTL1KDM4E
SCHEMBL25427831 0.65 MAPT (0.34) XDHKDM4EMAPT
SCHEMBL30462942 0.65 MAPT (0.34) XDHKDM4EMAPT

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-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 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-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885XDH 3349/4885MAPK1 1843/4885

“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.