SCHEMBL7322949

SCHEMBL7322949

Nc1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.51
PTGS1 P23219 11/20 0.48
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL7326690 0.82 PTGS2 (0.64) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL3553655 0.82 DRD1 (0.40) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL3561929 0.82 PTGS2 (0.50) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL15750997 0.81 PTGS2 (0.37) PTGS2PTGS1KDM4E
SCHEMBL7316270 0.80 PTGS1 (0.58) PTGS2PTGS1CYP2C9
SCHEMBL7327229 0.79 PTGS2 (0.53) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL1887981 0.78 PTGS2 (0.51) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL3564656 0.76 ALDH1A1 (0.45) PTGS1KDM4EALDH1A1TSHRNPSR1
SCHEMBL3277337 0.75 PTGS2 (0.55) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL7323665 0.74 PTGS2 (0.53) PTGS2PTGS1CYP2C9PDPK1

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 PTGS2 158/4885PTGS1 197/4885KDM4E 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.