SCHEMBL7069822

SCHEMBL7069822

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3C(=O)O)cc2n1CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 6/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
PIN1 Q13526 2/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
PAX8 Q06710 1/20 0.31
F7 P08709 2/20 0.31
HPGD P15428 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL7073509 0.93 PDE4A (0.38) ACSS2MAPTNPC1HPGDPDE4A
SCHEMBL7073172 0.92 ACSS2 (0.39) ACSS2MAPTNPC1TPSAB1TPSD1
SCHEMBL7075077 0.90 ACSS2 (0.38) ACSS2MAPTNPC1F7F2
SCHEMBL7072722 0.90 MAPT (0.38) ACSS2MAPTNPC1TPSAB1TPSD1
SCHEMBL7070091 0.87 DRD3 (0.37) ACSS2HPGDF9
SCHEMBL7071802 0.85 TPSAB1 (0.37) ACSS2MAPTNPC1TPSAB1TPSD1
SCHEMBL7128797 0.84 TRPV1 (0.34) ACSS2
SCHEMBL7073134 0.84 MAPT (0.38) ACSS2MAPTNPC1TPSAB1TPSD1
SCHEMBL7067665 0.83 TPSAB1 (0.36) ACSS2MAPTNPC1TPSAB1TPSD1
SCHEMBL7068898 0.83 L3MBTL1 (0.44) ACSS2MAPTNPC1HPGDPDE4A

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 5 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 ACSS2 609/4885MAPT 2104/4885NPC1 1362/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885MAPT 2289/4885NPC1 3932/4885

“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.