SCHEMBL5749669

SCHEMBL5749669

C=CCOc1ccc2sc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.60
MAOA P21397 10/20 0.60
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA9 Q16790 4/20 0.57
AGER Q15109 1/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CA2 P00918 1/20 0.47
ALPI P09923 1/20 0.47
MAPT P10636 1/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
ALDH2 P05091 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5878902 0.88 CA12 (0.56) MAOBMAOACA12CA1CA9
SCHEMBL2129509 0.80 MAOA (0.66) MAOBMAOACA12CA1CA9
SCHEMBL19645161 0.77 MAOA (0.59) MAOBMAOAHPGDALDH1A1CA2
SCHEMBL3567204 0.77 MAOA (0.60) MAOBMAOAAGERHPGDALDH1A1
SCHEMBL3122335 0.75 MAOB (1.00) MAOBMAOACA12CA1CA9
SCHEMBL3802319 0.74 MAOA (0.58) MAOBMAOACA12CA1CA9
SCHEMBL5878695 0.74 ALDH1A1 (0.47) MAOBMAOACA12CA1CA9
7-Allyloxycoumarin SCHEMBL4765530 0.73 CA12 (1.00) MAOBMAOACA12CA1CA9
SCHEMBL7901046 0.72 MAOB (0.70) MAOBMAOACA12CA1CA9
SCHEMBL2130280 0.71 MAOA (0.55) MAOBMAOAHPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
EP-0309953-A1 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methyl-isoxazolidines FISONS CORPORATION (US) 1989-04-05 EP disclosed
US-4754042-A 5-{[naphthyl(or 2-oxo-1,3-benzoxathiol-6-yl)oxy]methyl}-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-06-28 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A MAOB 410/4885MAOA 428/4885CA12 3025/4885

“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.