SCHEMBL7319092

SCHEMBL7319092

N#Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.60
PTGS2 P35354 13/20 0.57
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP2C9 P11712 2/20 0.40

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
SCHEMBL7318838 0.82 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL5212572 0.81 PTGS1 (0.66) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7319707 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7242623 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL14887386 0.80 MAPT (0.67) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL7323516 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL7319734 0.79 PTGS2 (0.50) PTGS1PTGS2MAPTPDPK1CYP2C9
SCHEMBL3289186 0.79 PTGS1 (0.58) PTGS1PTGS2MAPTPDPK1
SCHEMBL3278021 0.77 PTGS1 (0.62) PTGS1PTGS2MAPTPOLBPDPK1
SCHEMBL1876557 0.77 PTGS1 (0.62) PTGS1PTGS2MAPTPOLBPDPK1

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 3 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

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.