SCHEMBL5263152

SCHEMBL5263152

O=C(O)c1cc(O)c(O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ASPH Q12797 4/20 0.50
KDM8 Q8N371 3/20 0.50
P4HTM Q9NXG6 2/20 0.45
P4HA1 P13674 1/20 0.45
MIF P14174 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
KDM6B O15054 1/20 0.43
TET3 O43151 1/20 0.43
KDM4A O75164 1/20 0.43
BBOX1 O75936 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
TET2 Q6N021 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
KDM7A Q6ZMT4 1/20 0.43
TET1 Q8NFU7 1/20 0.43
EGLN2 Q96KS0 1/20 0.43

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
Water SCHEMBL9013414 0.98 KDM4E (0.48) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL15793363 0.82 KDM4E (0.57) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL9318569 0.82 KDM4E (0.62) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL31220772 0.80 KDM4E (0.46) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL31220823 0.80 KDM4E (0.66) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL27106805 0.80 KDM4E (0.48) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL9424897 0.80 EGFR (0.58) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL3408048 0.80 KDM4E (0.46) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL5917874 0.80 KDM4E (0.46) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL14818659 0.79 ALDH1A1 (0.39) KDM4EASPHKDM8ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
CN-1726033-A Treatment of diseases with combinations of alpha 7 nicotinic acetylcholine receptor agonists and other compounds PHARMACIA & UPJOHN CO LLC (US) 2006-01-25 CN disclosed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed
EP-0267733-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions containing them ZENECA Pharma S.A. (FR) 1988-05-18 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 (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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 KDM4E 3867/4885ASPH 1184/4885KDM8 2698/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KDM4E 4047/4885ASPH 1185/4885KDM8 3159/4885

“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.