SCHEMBL9199044

SCHEMBL9199044

COC(=O)c1cc(CO)nc(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
XDH P47989 2/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL17545110 0.91 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL17544615 0.91 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL17789604 0.91 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL18977859 0.91 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL1425020 0.89 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL30295698 0.89 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL21971567 0.89 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL3511223 0.88 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28175165 0.88 KDM4E (0.71) CA12CA1CA2CA7CA9
SCHEMBL17544754 0.88 KDM4E (0.51) CA12CA1CA2CA7CA9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104409-A1 MULTIMERIC MANGANESE CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 WO disclosed
EP-4741400-A1 MULTIMERIC MANGANESE CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2026-05-13 EP disclosed
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents MEDIMMUNE LIMITED (GB) 2022-12-13 US disclosed
US-11278627-B2 Antibody-drug conjugates and the use of same in therapy MC SAF (FR) 2022-03-22 US disclosed
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS MEDIMMUNE LIMITED (GB) 2021-03-18 US disclosed
EP-3521314-B1 ANTIBODY-DRUG CONJUGATES AND USE THEREOF IN THERAPY MC SAF (FR) 2021-02-24 EP disclosed
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes CISBIO BIOASSAYS (FR) 2020-03-24 US disclosed
EP-3386974-B1 WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2020-02-05 EP disclosed
WO-2019197602-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS MEDIMMUNE LIMITED (GB) 2019-10-17 WO disclosed
EP-3521314-A1 NEW ANTIBODY-DRUG CONJUGATES AND USE THEREOF IN TREATMENT Université François Rabelais (FR) 2019-08-07 EP disclosed
US-20160151515-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY MC SAF (FR) 2016-06-02 US disclosed
US-20160151515-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY MC SAF (FR) 2016-06-02 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO disclosed
WO-2015004400-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY UNIVERSITE FRANCOIS RABELAIS (FR) 2015-01-15 WO disclosed
WO-2012153253-A2 AROMATIC COMPOUNDS AND METAL COMPLEXES THEREOF DU PREEZ JAN GYSBERT HERMANUS (ZA) 2012-11-15 WO disclosed
EP-0533131-B1 Process for selectively mono-ortho-hydroxy alkylation of 4-substituted pyridine derivatives HOECHST AG (DE) 1995-08-09 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 (6 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-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents PBRM1, HDAC6, NPM1 CA12 861/4885CA1 1324/4885CA2 3094/4885
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS PBRM1, HDAC6, NPM1 CA12 861/4885CA1 1324/4885CA2 3094/4885
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 CA12 2940/4885CA1 1809/4885CA2 1968/4885
US-20160151515-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY CD47, TNFRSF9, VSIG8 CA12 921/4885CA1 1552/4885CA2 4511/4885
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes GSTA1, CLIC1, SLC40A1 CA12 1289/4885CA1 856/4885CA2 990/4885
US-11278627-B2 Antibody-drug conjugates and the use of same in therapy CD47, TNFRSF9, VSIG8 CA12 689/4885CA1 1035/4885CA2 4304/4885

“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.