SCHEMBL21264461

SCHEMBL21264461

O=c1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cc8c9ccccc9c(=O)n9c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10c(c7)c89)n6)cc5)ccc4n1c23

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
BRD4 O60885 1/20 0.34
TSPO P30536 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PIM1 P11309 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NR3C1 P04150 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LDHA P00338 1/20 0.33
ALOX5 P09917 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 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
SCHEMBL14732274 0.97 KMT2A (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22175281 0.94 MAOB (0.34) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL21125765 0.94 MAOB (0.34) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL16410020 0.91 ADORA3 (0.42) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL22175302 0.91 MEN1 (0.36) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL12181223 0.89 HSD17B10 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL14732255 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL20633762 0.88 MAOB (0.40) MAOBBRD4TSPOMEN1KMT2A
SCHEMBL17108140 0.86 KMT2A (0.39) BRD4MEN1KMT2AMAPTALDH1A1
SCHEMBL14732257 0.86 MAOB (0.40) 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-11145828-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-10-12 US disclosed
US-20190252628-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-15 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-11145828-B2 Metal complexes AP1M1, AP2M1, AP3M1 MAOB 3259/4885BRD4 281/4885TSPO 531/4885
US-20190252628-A1 METAL COMPLEXES AP1M1, AP2M1, AP3M1 MAOB 3259/4885BRD4 281/4885TSPO 531/4885

“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.