SCHEMBL7318907

SCHEMBL7318907

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.61
THRB P10828 1/20 0.51
TRPC3 Q13507 3/20 0.50
TRPC1 P48995 1/20 0.50
STIM1 Q13586 1/20 0.50
TRPC5 Q9UL62 1/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 3/20 0.45
CRACR2A Q9BSW2 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL7328443 0.80 ORAI1 (0.62) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7233105 0.77 ORAI1 (0.70) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7319762 0.76 ORAI1 (0.58) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7321880 0.76 ORAI1 (1.00) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL5208645 0.76 ORAI1 (1.00) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7325947 0.75 ORAI1 (0.64) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL3975845 0.75 ALDH1A1 (0.64) MAPTALDH1A1NPSR1MAPK1
SCHEMBL7316497 0.74 ORAI1 (0.63) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7326092 0.74 ORAI1 (0.69) ORAI1THRBTRPC3TRPC1STIM1
SCHEMBL7320744 0.74 ORAI1 (0.74) ORAI1THRBTRPC3TRPC1STIM1

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
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 3522/4885THRB 3730/4885TRPC3 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.