SCHEMBL5543487

SCHEMBL5543487

O=CNc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM5A P29375 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 2/20 0.41
FABP4 P15090 2/20 0.41

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
SCHEMBL28172203 0.84 NPC1 (0.56) KDM4ENPC1RAB9AHSD17B10CASP3
SCHEMBL29413047 0.82 ALDH1A1 (0.57) KDM4ENPC1RAB9AHSD17B10MEN1
SCHEMBL501876 0.82 ALDH1A1 (0.57) KDM4ENPC1RAB9AHSD17B10MEN1
SCHEMBL4297093 0.81 ALDH1A1 (0.51) KDM4EHSD17B10KDM5AMEN1KMT2A
SCHEMBL534334 0.80 G6PD (0.52) PBRM1KDM4ENPC1RAB9AHSD17B10
SCHEMBL9466501 0.79 ELANE (0.38) PBRM1KDM4ENPC1RAB9AHSD17B10
SCHEMBL9466486 0.79 ELANE (0.38) PBRM1KDM4ENPC1RAB9AHSD17B10
SCHEMBL7590484 0.79 HSD17B10 (0.55) KDM4EHSD17B10KDM5AMEN1KMT2A
SCHEMBL11704682 0.79 PBRM1 (0.50) PBRM1KDM4ENPC1RAB9AHSD17B10
SCHEMBL12041920 0.79 PBRM1 (0.54) PBRM1KDM4ENPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PBRM1 1932/4885KDM4E 4854/4885NPC1 2404/4885

“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.