SCHEMBL7322111

SCHEMBL7322111

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
ORAI1 Q96D31 3/20 0.55
TP53 P04637 2/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
IGF1R P08069 1/20 0.48
HTT P42858 2/20 0.47
MAPK14 Q16539 2/20 0.47
TRPC3 Q13507 2/20 0.47
TRPC1 P48995 1/20 0.47
STIM1 Q13586 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL7389042 0.87 TP53 (0.58) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7316051 0.86 ORAI1 (0.61) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7319196 0.85 ORAI1 (0.60) TRPV1ORAI1TP53MAPTMEN1
SCHEMBL7314688 0.84 TP53 (0.56) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7322521 0.83 ORAI1 (0.58) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7327031 0.81 TP53 (0.55) TRPV1ORAI1TP53MAPTNPC1
SCHEMBL7315660 0.80 ORAI1 (0.73) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7328732 0.79 TP53 (0.57) ORAI1TP53MAPTMEN1KMT2A
SCHEMBL7233105 0.78 ORAI1 (0.70) ORAI1TP53MAPTNPC1RAB9A
SCHEMBL7320683 0.78 ORAI1 (0.67) ORAI1TP53MAPTMEN1KMT2A

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 4 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

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 TRPV1 4710/4885ORAI1 3522/4885TP53 1903/4885

“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.