SCHEMBL4957945

SCHEMBL4957945

C=CCOc1cc(Br)ccc1/C=N/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAOB P27338 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LIG1 P18858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL4957949 1.00 HPGD (0.52) HPGDALDH1A1MAPK1TSHRHSD17B10
SCHEMBL4874895 0.87 ALDH1A1 (0.53) HPGDALDH1A1MAPK1TSHRHSD17B10
SCHEMBL4874887 0.87 ALDH1A1 (0.53) HPGDALDH1A1MAPK1TSHRHSD17B10
SCHEMBL1878476 0.83 HPGD (0.50) HPGDALDH1A1MAPK1TSHRMAOB
SCHEMBL4430794 0.82 MAOB (0.60) MAOBSMN1; SMN2LMNA
SCHEMBL13886069 0.82 MAOB (0.60) MAOBSMN1; SMN2LMNA
SCHEMBL4430797 0.82 MAOB (0.60) MAOBSMN1; SMN2LMNA
SCHEMBL13372072 0.82 ALDH1A1 (0.47) HPGDALDH1A1MAPK1TSHRHSD17B10
SCHEMBL13786439 0.80 MAOB (0.46) HPGDALDH1A1MAPK1TSHRMAOB
SCHEMBL14206846 0.75 MAOB (0.65) ALDH1A1MAOBMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 — — US disclosed
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 — — US disclosed
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 — — US disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 — — US disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 — — US disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 — — US disclosed
EP-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 — — EP disclosed
EP-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 — — EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 — — EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 — — EP disclosed
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2005-09-22 — — 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-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES APOB, CYP46A1, PCSK9 HPGD 2215/4885ALDH1A1 848/4885MAPK1 2917/4885
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones APOB, CYP46A1, PCSK9 HPGD 2215/4885ALDH1A1 848/4885MAPK1 2917/4885

“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.

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