SCHEMBL18014775

SCHEMBL18014775

CC(C)(C)Cc1cccnc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
IDO1 P14902 2/20 0.41
MPO P05164 1/20 0.41
PPIA P62937 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HMOX1 P09601 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL18015821 0.86 MAOB (0.46) MAOBIDO1MPOPPIAMAPT
SCHEMBL18014793 0.83 IDO1 (0.47) IDO1KDM4E
SCHEMBL23344679 0.81 SCN9A (0.41)
SCHEMBL18014798 0.78 MAOB (0.43) MAOBIDO1MPOKMT2A
SCHEMBL24599906 0.77 MAOB (0.46) MAOBIDO1MPOPPIAMAPT
SCHEMBL12776096 0.76 SLC13A5 (0.48) HPGDKMT2A
SCHEMBL12776098 0.74 SLC13A5 (0.47) MAOBKMT2A
SCHEMBL28223870 0.74 HDAC1 (0.55) MAOBIDO1PPIAMAPTKDM4E
SCHEMBL18161366 0.73 MAOB (0.71) MAOBIDO1HMOX1
SCHEMBL18014784 0.72 HTR2A (0.37) KMT2A

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 MAOB 721/4885IDO1 2893/4885MPO 4732/4885

“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.