SCHEMBL7327704

SCHEMBL7327704

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.62
PTGS2 P35354 7/20 0.58
KDM4E B2RXH2 2/20 0.55
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
CNR1 P21554 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TNFSF11 O14788 1/20 0.47
ANPEP P15144 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8981363 0.83 PTGS2 (0.68) PTGS1PTGS2
SCHEMBL7316037 0.83 KDM4E (0.56) PTGS1PTGS2KDM4EHTTALDH1A1
SCHEMBL3276806 0.80 PTGS1 (0.79) PTGS1PTGS2
SCHEMBL7318838 0.78 PTGS1 (0.64) PTGS1PTGS2
SCHEMBL2695601 0.78 PTGS1 (0.80) PTGS1PTGS2
SCHEMBL17077240 0.78 PTGS1 (0.80) PTGS1PTGS2
SCHEMBL29503530 0.78 PTGS1 (0.79) PTGS1PTGS2
SCHEMBL5212572 0.77 PTGS1 (0.66) PTGS1PTGS2
SCHEMBL18448495 0.77 PTGS1 (1.00) PTGS1PTGS2LMNACA1CA2
SCHEMBL7317631 0.76 PTGS1 (0.62) PTGS1PTGS2KDM4EALDH1A1HPGD

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 1 patent. 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

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 158/4885KDM4E 2261/4885

“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.