SCHEMBL4865204

SCHEMBL4865204

C#CCOc1ccc(CC(N)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CYP19A1 P11511 2/20 0.44
▸ GSTP1 P09211 1/20 0.43
▸ PPARA Q07869 2/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ SLC7A5 Q01650 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2802898 1.00 CA12 (0.46) CA12CA2CA9CA1CA4
SCHEMBL10001633 0.89 CA12 (0.47) CA12CA2CA9CA1CA4
SCHEMBL229602 0.88 ITGB3 (0.59) CA12CA2CA9CA1CA4
SCHEMBL229603 0.88 ITGB3 (0.59) CA12CA2CA9CA1CA4
SCHEMBL2742844 0.87 CA12 (0.45) CA12CA2CA9CA1CA4
Hydrochloric Acid SCHEMBL230409 0.87 ITGB3 (0.58) CA12CA2CA9CA1CA4
Hydrochloric Acid SCHEMBL230410 0.87 ITGB3 (0.58) CA12CA2CA9CA1CA4
SCHEMBL231156 0.87 CA12 (0.45) CA12CA2CA9CA1CA4
SCHEMBL18025354 0.85 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL16441206 0.85 CA12 (0.44) CA12CA2CA9CA1CA4

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
JP-2008531482-A — — 2008-08-14 — — JP claimed
EP-1850878-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2007-11-07 — — EP claimed
WO-2006084888-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2006-08-17 — — WO claimed
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 — — US disclosed
US-7524813-B2 Selectively conjugated peptides and methods of making the same NOVO NORDISK HEALTH CARE AG (CH) 2009-04-28 — — US disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 — — WO disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 — — 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-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP CA12 224/4885CA2 2102/4885CA9 689/4885
US-20090253166-A1 Conjugation of Peptides DNPEP, ENPEP, ANPEP CA12 224/4885CA2 2102/4885CA9 689/4885

“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.

Send feedback