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SCHEMBL7072644

SCHEMBL7072644

N=C(N)Nc1ccc2[nH]c(Cc3nc4ccc(C(=O)NCCc5ccccc5C(=O)O)cc4n3CCCS(=O)(=O)O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.36
▸ F9 P00740 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ F2 P00734 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ NOD2 Q9HC29 2/20 0.34
▸ PARP1 P09874 2/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL7072028 0.90 POLB (0.43) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7067770 0.87 NOD1 (0.37) NOD1F9MAPTF2TP53
SCHEMBL7071922 0.84 NOD1 (0.37) NOD1F9MAPTTP53ALDH1A1
SCHEMBL7071907 0.83 NOD1 (0.38) NOD1F9TP53NOD2
SCHEMBL7068332 0.79 F2 (0.40) NOD1F9MAPTF2TP53
SCHEMBL7128797 0.78 TRPV1 (0.34) NOD1TP53
SCHEMBL7072014 0.78 ACSS2 (0.39) NOD1F9NOD2ALDH1A1
SCHEMBL7069160 0.77 MAPT (0.44) MAPTF2TP53ALDH1A1HSD17B10
SCHEMBL7069822 0.76 ACSS2 (0.34) F9MAPTF2POLBNPC1
SCHEMBL7364157 0.74 MAPT (0.42) F9MAPTTP53ALDH1A1HSD17B10

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 NOD1 742/4885F9 2202/4885MAPT 2104/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NOD1 547/4885F9 3853/4885MAPT 2289/4885

“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.