SCHEMBL6950193

SCHEMBL6950193

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(F)(F)F)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 1.00
PDE4A P27815 18/20 1.00
PDE4B Q07343 18/20 1.00
PDE4C Q08493 18/20 1.00
PDE11A Q9HCR9 2/20 0.62
PDE3B Q13370 1/20 0.53

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
SCHEMBL6950195 0.92 PDE4D (0.85) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1552658 0.77 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1552602 0.77 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4702803 0.76 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL29993300 0.76 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6954457 0.75 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6963861 0.74 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1552877 0.74 PDE4D (0.85) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8269400 0.74 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1552882 0.73 PDE4D (0.85) PDE4DPDE4APDE4BPDE4CPDE11A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US claimed
WO-2020028392-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY (US) 2020-02-06 WO claimed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP claimed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US claimed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP claimed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 WO claimed
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DUKE UNIVERSITY (US) 2024-05-21 US disclosed
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US disclosed
WO-2020028392-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY (US) 2020-02-06 WO disclosed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 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 (3 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-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DNER, SFRP1, WNT1 PDE4D 2744/4885PDE4A 2835/4885PDE4B 2863/4885
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DNER, SFRP1, WNT1 PDE4D 2744/4885PDE4A 2835/4885PDE4B 2863/4885
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4D 25/4885PDE4A 9/4885PDE4B 12/4885

“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.