SCHEMBL7318838

SCHEMBL7318838

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.64
PTGS2 P35354 9/20 0.60
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.47
PDPK1 O15530 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5212572 0.84 PTGS1 (0.66) PTGS1PTGS2MAPTPOLB
SCHEMBL7382728 0.84 PTGS1 (0.48) PTGS1PTGS2MAPTPOLBNPC1
SCHEMBL14887386 0.83 MAPT (0.67) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL7319707 0.83 PTGS1 (0.64) PTGS1PTGS2MAPTPOLB
SCHEMBL7242623 0.83 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL7323516 0.83 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL7318608 0.82 PTGS1 (0.60) PTGS1PTGS2MAPTPOLBTDP1
SCHEMBL3276806 0.82 PTGS1 (0.79) PTGS1PTGS2PDPK1
SCHEMBL7319092 0.82 PTGS1 (0.60) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL1668127 0.82 PTGS1 (0.60) PTGS1PTGS2MAPTPOLBTDP1

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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS1 197/4885PTGS2 158/4885MAPT 2674/4885

“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.