SCHEMBL22175281

SCHEMBL22175281

O=c1c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c7ccccc7c(=O)n7c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c(c5)c67)n4)cc3)ccc2c2cc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc3c4cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)ccc4n1c23

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
BRD4 O60885 4/20 0.34
TSPO P30536 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
FEN1 P39748 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PIM1 P11309 1/20 0.31
DUSP3 P51452 1/20 0.31
TLR4 O00206 1/20 0.30
ATM Q13315 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
SCHEMBL21125765 0.98 MAOB (0.34) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL21264461 0.94 MAOB (0.35) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL22175302 0.92 MEN1 (0.36) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL14732274 0.92 KMT2A (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21636032 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL21636126 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL22022438 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL21142693 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL26042857 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL20633277 0.88 MAOB (0.42) MAOBBRD4TSPOMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 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 (2 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-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 MAOB 2037/4885BRD4 932/4885TSPO 875/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 MAOB 2037/4885BRD4 932/4885TSPO 875/4885

“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.