SCHEMBL7327901

SCHEMBL7327901

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1c(F)cc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.67
TRPC3 Q13507 3/20 0.67
TRPC1 P48995 1/20 0.67
STIM1 Q13586 1/20 0.67
TRPC5 Q9UL62 1/20 0.60
TP53 P04637 3/20 0.57
MAPT P10636 2/20 0.54
THRB P10828 2/20 0.53
CRACR2A Q9BSW2 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 3/20 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
SCHEMBL7326256 0.91 ORAI1 (0.67) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL14887701 0.90 ORAI1 (0.75) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7325983 0.88 ORAI1 (0.67) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7326630 0.88 ORAI1 (0.69) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL14887709 0.87 ORAI1 (0.52) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7317734 0.86 ORAI1 (0.74) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7326092 0.86 ORAI1 (0.69) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7317754 0.85 ORAI1 (0.81) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7327988 0.85 ORAI1 (0.81) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7315607 0.84 ORAI1 (0.62) ORAI1TRPC3TRPC1STIM1TRPC5

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 3522/4885TRPC3 4362/4885TRPC1 4287/4885

“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.