SCHEMBL7068264

SCHEMBL7068264

COCCOCCOC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4ccccc4[nH]3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.36
ACSS2 Q9NR19 4/20 0.36
MAPK10 P53779 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7071969 0.98 L3MBTL1 (0.40) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7071980 0.92 TPSAB1 (0.39) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7068114 0.91 TPSAB1 (0.38) L3MBTL1TPSAB1TPSD1TPSG1HPGD
SCHEMBL7073278 0.89 L3MBTL1 (0.41) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7397634 0.89 L3MBTL1 (0.41) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7073823 0.88 DRD3 (0.37) TPSAB1TPSD1TPSG1HPGD
SCHEMBL7073363 0.87 L3MBTL1 (0.50) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7071895 0.86 DRD3 (0.38) TPSAB1TPSD1TPSG1HPGD
SCHEMBL7073880 0.86 L3MBTL1 (0.42) L3MBTL1TSHRTPSAB1TPSD1TPSG1
SCHEMBL7075013 0.86 TPSAB1 (0.38) L3MBTL1TPSAB1TPSD1TPSG1HPGD

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 L3MBTL1 4824/4885TSHR 4233/4885TPSAB1 5/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 L3MBTL1 4750/4885TSHR 4214/4885TPSAB1 5/4885

“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.