SCHEMBL6485964

SCHEMBL6485964

COC(=O)C(C)CNc1nc(Cl)c(-c2cccc([N+](=O)[O-])c2)n(CC(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.51
F3 P13726 12/20 0.51
F2 P00734 11/20 0.51
CFTR P13569 6/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5846590 0.85 F7 (0.53) F7F3F2CFTR
SCHEMBL5847598 0.80 F2 (0.50) F7F3F2CFTRALDH1A1
SCHEMBL5846804 0.78 F7 (0.59) F7F3F2
SCHEMBL6794077 0.72 F7 (0.44) F7F3F2ALDH1A1GAA
SCHEMBL5846166 0.71 F2 (0.50) F7F3F2CFTRALDH1A1
SCHEMBL5846627 0.70 F7 (0.56) F7F3F2CFTR
SCHEMBL2145480 0.70 F7 (0.65) F7F3F2
SCHEMBL23460607 0.68 F7 (0.63) F7F3F2
SCHEMBL5848054 0.66 F7 (0.67) F7F3F2
SCHEMBL5847557 0.65 F7 (0.52) F7F3F2

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
WO-2005075469-A1 THIAZOLYL-HYDROXAMIC ACIDS AND THIADIAZOLYL-HYDROXAMIC ACIDS, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-08-18 WO disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 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 (1 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-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 F7 196/4885F3 100/4885F2 33/4885

“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.