SCHEMBL7314263

SCHEMBL7314263

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.62
ORAI1 Q96D31 3/20 0.60
TRPC3 Q13507 2/20 0.60
TRPC1 P48995 1/20 0.60
STIM1 Q13586 1/20 0.60
MAPT P10636 3/20 0.59
P2RX1 P51575 1/20 0.56
TRPC5 Q9UL62 1/20 0.54
CRACR2A Q9BSW2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
THRB P10828 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.48

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
SCHEMBL7317766 0.90 ORAI1 (0.56) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7320100 0.90 TP53 (0.60) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7315617 0.87 ORAI1 (0.57) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7318812 0.87 ORAI1 (0.67) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7327964 0.87 ORAI1 (0.74) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7326834 0.84 ORAI1 (0.75) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7323347 0.84 TP53 (0.67) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7320077 0.84 TP53 (0.67) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7323681 0.84 KDM4E (0.69) TP53ORAI1TRPC3TRPC1STIM1
SCHEMBL7320925 0.84 ORAI1 (0.59) TP53ORAI1TRPC3TRPC1STIM1

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 TP53 1903/4885ORAI1 3522/4885TRPC3 4362/4885

“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.