SCHEMBL2882745

SCHEMBL2882745

N#Cc1ccc(C(=O)c2cc[c]cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
GSK3B P49841 2/20 0.50
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
VNN1 O95497 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P4HB P07237 1/20 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
SCHEMBL3433075 0.89 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL1535886 0.82 ALDH1A1 (0.50) ALDH1A1MAPTRAB9A
SCHEMBL5962921 0.81 CA2 (0.70) CA2CA1GSK3BPARP15PARP10
SCHEMBL3215328 0.81 ALDH1A1 (0.61) CA2CA1GSK3BALDH1A1MAPT
SCHEMBL9856491 0.80 GSK3B (0.54) GSK3BVNN1
SCHEMBL9694596 0.79 TSHR (0.59) CA2CA1GSK3BPARP15PARP10
SCHEMBL13403832 0.79 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL4811505 0.79 CA1 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL9183599 0.79 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL507820 0.79 ALDH1A1 (0.67) CA2CA1GSK3BPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 WO disclosed
EP-1240177-B1 BENZOPHENONE ALPHA-D-GLYCOPYRANOSIDES, PREPARATION AND THERAPEUTIC USE FOURNIER LAB SA (FR) 2003-07-02 EP disclosed
WO-2003002586-A1 [4-(4-CYANOBENZOYL)PHENYL]GLYCOFURANOSIDE DERIVATIVES, USE OF SAID DERIVATIVES AS A MEDICAMENT, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES FOURNIER SA (FR) 2003-01-09 WO disclosed
WO-2003002585-A1 [4-(4-CYANOBENZOYL)PHENYL]GLYCOPYRANOSIDE DERIVATIVES, USE OF SAME AS A MEDICAMENT, PRODUCTION METHOD THEREOF AND COMPOSITIONS LABORATOIRES FOURNIER SA (FR) 2003-01-09 WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1240177-A2 BENZOPHENONE ALPHA-D-GLYCOPYRANOSIDES, PREPARATION AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2002-09-18 EP disclosed
EP-1240176-A1 BENZOPHENONE GLYCOPYRANOSIDES, PREPARATION AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2002-09-18 EP disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2001047940-A1 BENZOPHENONE GLYCOPYRANOSIDES, PREPARATION AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2001-07-05 WO disclosed
EP-1090017-A1 NOVEL COMPOUNDS DERIVED FROM $g(a)-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-11 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
WO-1999067261-A1 NOVEL COMPOUNDS DERIVED FROM α-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-12-29 WO disclosed
EP-0290321-B1 BETA-D-PHENYL-THIOXYLOSIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 1991-10-02 EP disclosed
EP-0290321-A1 Beta-D-phenyl-thioxylosides, process for their preparation and their use in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1988-11-09 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 (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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 CA2 2608/4885CA1 4392/4885GSK3B 567/4885

“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.