SCHEMBL2996093

SCHEMBL2996093

COCC(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HDAC4 P56524 5/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
DYRK3 O43781 2/20 0.41
CISD1 Q9NZ45 1/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RY14 Q15391 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.39
PIM1 P11309 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
SCHEMBL2996091 1.00 NOTUM (0.43) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2993647 0.91 TSHR (0.42) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2993651 0.91 TSHR (0.42) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2992608 0.90 HPGD (0.44) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2992605 0.90 HPGD (0.44) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL4942268 0.90 ALDH1A1 (0.43) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2997008 0.89 DYRK3 (0.41) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL2997009 0.89 DYRK3 (0.41) NOTUMHDAC4LMNAPOLBMAPT
SCHEMBL4947101 0.89 DYRK3 (0.42) HDAC4LMNAPOLBMAPTKMT2A
SCHEMBL4946166 0.89 DYRK3 (0.42) HDAC4LMNAPOLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 NOTUM 4213/4885HDAC4 275/4885LMNA 600/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 NOTUM 2399/4885HDAC4 1342/4885LMNA 1257/4885

“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.