SCHEMBL7071978

SCHEMBL7071978

COc1ccccc1OCCNC(=O)c1ccc2nc(C(=O)c3nc4cc(NC(=N)N)ccc4[nH]3)n(CC(O)CO)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
ACSS2 Q9NR19 5/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL7073153 0.89 TSHR (0.40) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7070421 0.84 ACSS2 (0.39) ACSS2HPGDKDM4E
SCHEMBL7068291 0.82 MAPT (0.38) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7069797 0.80 TSHR (0.41) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7071962 0.79 TSHR (0.41) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7075123 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7069137 0.77 TSHR (0.41) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7073509 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DACSS2
SCHEMBL7069778 0.75 NOD1 (0.40) ACSS2HPGD
SCHEMBL7075077 0.75 ACSS2 (0.38) PDE4APDE4BPDE4CPDE4DACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 PDE4A 1106/4885PDE4B 1453/4885PDE4C 1006/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PDE4A 1396/4885PDE4B 1874/4885PDE4C 1951/4885

“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.