SCHEMBL2695601

SCHEMBL2695601

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.80
PTGS2 P35354 11/20 0.74
PDPK1 O15530 5/20 0.70
CYP2C9 P11712 2/20 0.55

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
SCHEMBL3276806 0.97 PTGS1 (0.79) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL29503530 0.95 PTGS1 (0.79) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL17077240 0.90 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL22289006 0.89 PTGS1 (0.71) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL2697786 0.89 PTGS1 (0.78) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL18448495 0.89 PTGS1 (1.00) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL31543731 0.88 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL5430134 0.88 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL5698545 0.88 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6013922 0.85 PTGS2 (1.00) PTGS1PTGS2PDPK1CYP2C9

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-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 EP 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PTGS1 1/4885PTGS2 2/4885PDPK1 2901/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PTGS1 1/4885PTGS2 2/4885PDPK1 2901/4885

“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.