SCHEMBL22758231

SCHEMBL22758231

CC(C)c1cnc2ccccc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GPR3 P46089 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LRRK2 Q5S007 1/20 0.41
MPO P05164 1/20 0.37
LMNA P02545 1/20 0.37
ERN1 O75460 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
ATM Q13315 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDPK1 O15530 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
NCF1 P14598 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL2718614 0.85 MAOA (0.44) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL6345730 0.80 USP5 (0.44) MAOAMAOBERN1
SCHEMBL27552102 0.79 MAOA (0.45) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL23027927 0.78 GPR3 (0.45) KDM4EGPR3LRRK2MPOERN1
SCHEMBL827432 0.78 KDM4E (0.45) KDM4EGPR3PDE4APDE4BPDE4C
SCHEMBL21893819 0.78 MAPT (0.52) MAOAMAOBKDM4ELMNAERN1
SCHEMBL22758237 0.77 KDM4E (0.48) KDM4EGPR3PDE4APDE4BPDE4C
SCHEMBL21364626 0.77 KDM4E (0.44) KDM4EGPR3LRRK2MPOLMNA
SCHEMBL30409628 0.76 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL2125593 0.76 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A

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-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 US disclosed
US-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2020-12-10 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-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF MALT1, BCL6, BCL3 MAOA 4302/4885MAOB 3524/4885KDM4E 1844/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 MAOA 4302/4885MAOB 3524/4885KDM4E 1844/4885

“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.