SCHEMBL2889573

SCHEMBL2889573

O=[N+]([O-])c1c[c]ccc1Sc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 12/20 0.54
▸ PDE7B Q9NP56 4/20 0.54
▸ PDE4B Q07343 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PLA2G4A P47712 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ BCL2L1 Q07817 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ USP7 Q93009 1/20 0.42
▸ PADI4 Q9UM07 1/20 0.42

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
SCHEMBL4845838 0.84 PDE7A (0.55) PDE7APDE7BPDE4BPDE4DTDP1
SCHEMBL7665295 0.78 PDE7A (0.67) PDE7APDE7BPDE4BPDE4DPLA2G4A
SCHEMBL4963975 0.74 PDE7A (0.82) PDE7APDE7BPDE4BPDE4DPLA2G4A
SCHEMBL27561251 0.74 TXNRD1 (0.70) PDE7APDE7BPDE4BPDE4DPLA2G4A
SCHEMBL2881438 0.74 TDP1 (0.39) PDE7ATDP1MEN1KMT2APOLB
SCHEMBL27370328 0.73 TDP1 (0.41) PDE7ATDP1L3MBTL1MEN1KMT2A
SCHEMBL27153325 0.73 USP7 (0.51) PDE7APDE7BPDE4BPDE4DPLA2G4A
SCHEMBL3506549 0.71 PDE7A (0.56) PDE7APDE7BPDE4BPDE4DL3MBTL1
SCHEMBL19859 0.71 VCAM1 (0.46) TDP1
SCHEMBL3297230 0.71 PDE7A (0.38) PDE7APDE7BTDP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 — — US claimed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 — — US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 — — US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 — — US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 — — US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 — — EP disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 — — 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
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 — — WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 — — US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 — — EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 — — 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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 PDE7A 12/4885PDE7B 11/4885PDE4B 2/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 PDE7A 1278/4885PDE7B 1171/4885PDE4B 663/4885

“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.

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