SCHEMBL7320587

SCHEMBL7320587

O=C(CCCl)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 5/20 0.64
TP53 P04637 2/20 0.58
TRPC3 Q13507 3/20 0.56
TRPC1 P48995 1/20 0.56
STIM1 Q13586 1/20 0.56
TRPC5 Q9UL62 1/20 0.55
MAPT P10636 2/20 0.55
THRB P10828 1/20 0.54
POLB P06746 1/20 0.47
CRACR2A Q9BSW2 4/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PDPK1 O15530 1/20 0.46

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
SCHEMBL7323920 0.91 ORAI1 (0.60) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7327028 0.85 ORAI1 (0.57) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7316026 0.84 ORAI1 (0.56) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7326587 0.83 ORAI1 (0.55) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7476673 0.83 ORAI1 (0.55) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7319204 0.82 ORAI1 (0.60) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7323936 0.82 ORAI1 (0.59) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7323892 0.82 ORAI1 (0.71) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7563028 0.82 ORAI1 (0.53) ORAI1TP53TRPC3TRPC1STIM1
SCHEMBL7325234 0.81 ORAI1 (0.67) ORAI1TP53TRPC3TRPC1STIM1

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 3522/4885TP53 1903/4885TRPC3 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.