SCHEMBL31300761

SCHEMBL31300761

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MYC P01106 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PTGS2 P35354 1/20 0.32
MAPK10 P53779 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
SCHEMBL30220697 0.83 ALDH1A1 (0.36) XDHL3MBTL1MAPTALDH1A1GAA
SCHEMBL23799465 0.82 XDH (0.42) XDHL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL20605084 0.82 XDH (0.49) XDHL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL30462942 0.71 MAPT (0.34) XDHMAPTTSHRLMNANPSR1
SCHEMBL25427831 0.71 MAPT (0.34) XDHMAPTTSHRLMNANPSR1
SCHEMBL23799922 0.68 NR1H2 (0.37) XDHALDH1A1LMNA
SCHEMBL20605062 0.67 L3MBTL1 (0.43) XDHL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL16237303 0.66 TSHR (0.46) L3MBTL1MAPTSMN1; SMN2TSHRRAB9A
SCHEMBL20605125 0.66 L3MBTL1 (0.43) XDHL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL20605019 0.66 KDM4E (0.48) XDHL3MBTL1MAPTTP53TSHR

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-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 XDH 3349/4885L3MBTL1 135/4885MAPT 2996/4885

“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.