SCHEMBL7318608

SCHEMBL7318608

O=C(O)c1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.60
PTGS2 P35354 8/20 0.57
KLKB1 P03952 2/20 0.53
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL27949295 0.87 PTGS1 (0.53) PTGS1PTGS2KLKB1GRNSORT1
SCHEMBL1668298 0.85 PTGS1 (0.56) PTGS1PTGS2TDP1MAPTPOLB
SCHEMBL7318838 0.82 PTGS1 (0.64) PTGS1PTGS2TDP1MAPTPOLB
SCHEMBL21462630 0.82 KLKB1 (0.59) PTGS1PTGS2KLKB1GRNSORT1
SCHEMBL950904 0.82 GRN (0.72) PTGS1PTGS2KLKB1GRNSORT1
SCHEMBL7320128 0.81 PTGS1 (0.52) PTGS1PTGS2TDP1MAPTPOLB
SCHEMBL30677091 0.81 KLKB1 (0.57) PTGS1PTGS2KLKB1GRNSORT1
SCHEMBL18604629 0.81 PTGS2 (0.58) PTGS1PTGS2KLKB1GRNSORT1
SCHEMBL5212572 0.81 PTGS1 (0.66) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL18218817 0.81 GRN (0.62) PTGS1PTGS2KLKB1GRNSORT1

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 158/4885KLKB1 800/4885

“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.