SCHEMBL7319196

SCHEMBL7319196

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.60
APP P05067 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
TP53 P04637 2/20 0.51
MAPT P10636 6/20 0.49
THRB P10828 2/20 0.48
TRPC3 Q13507 3/20 0.47
TRPC1 P48995 1/20 0.47
STIM1 Q13586 1/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPC5 Q9UL62 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 1/20 0.44
DDR2 Q16832 1/20 0.44
IDH1 O75874 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGS2 P35354 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
SCHEMBL7327031 0.89 TP53 (0.55) ORAI1TRPV1TP53MAPTTHRB
SCHEMBL7318812 0.86 ORAI1 (0.67) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7322521 0.85 ORAI1 (0.58) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7322111 0.85 TRPV1 (0.56) ORAI1TRPV1TP53MAPTTHRB
SCHEMBL7328732 0.82 TP53 (0.57) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL14409512 0.82 ORAI1 (0.67) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7233105 0.81 ORAI1 (0.70) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7389042 0.79 TP53 (0.58) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7314688 0.79 TP53 (0.56) ORAI1TP53MAPTTHRBTRPC3
SCHEMBL7326642 0.77 ORAI1 (0.60) ORAI1TP53MAPTTHRBTRPC3

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 6 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 claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
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 ORAI1 3522/4885APP 3505/4885TRPV1 4710/4885

“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.