SCHEMBL7317631

SCHEMBL7317631

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.62
PTGS2 P35354 10/20 0.58
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.44
PDPK1 O15530 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL27934076 0.88 PTGS1 (0.54) PTGS1PTGS2PDPK1
SCHEMBL23358701 0.84 PTGS1 (0.53) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL950143 0.83 PTGS1 (0.64) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL6343163 0.83 PTGS2 (0.67) PTGS1PTGS2TSHRPDPK1
SCHEMBL7315950 0.83 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL25873702 0.83 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL15919511 0.83 PTGS1 (0.49) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL30677019 0.83 PTGS2 (0.53) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL17064914 0.83 PTGS1 (0.64) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL3276806 0.80 PTGS1 (0.79) PTGS1PTGS2PDPK1

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 158/4885ALDH1A1 211/4885

“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.