SCHEMBL7315646

SCHEMBL7315646

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)C1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ORAI1 Q96D31 6/20 0.52
MAPT P10636 2/20 0.50
GHSR Q92847 1/20 0.49
TRPC3 Q13507 3/20 0.48
TRPC1 P48995 1/20 0.48
STIM1 Q13586 1/20 0.48
TRPC5 Q9UL62 1/20 0.48
THRB P10828 1/20 0.47
CRACR2A Q9BSW2 6/20 0.46
EPHX2 P34913 1/20 0.41

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
SCHEMBL7315606 0.85 ORAI1 (0.61) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7323973 0.83 ORAI1 (0.59) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7237459 0.82 ORAI1 (0.58) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7316184 0.82 ORAI1 (0.58) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7327914 0.81 ORAI1 (0.57) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7315010 0.81 ORAI1 (0.56) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7313172 0.79 ORAI1 (0.54) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7321623 0.79 ORAI1 (0.54) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL7314308 0.78 ORAI1 (0.53) TP53ORAI1MAPTTRPC3TRPC1
SCHEMBL5212825 0.77 PTPN2 (0.61) TP53ORAI1MAPTTRPC3TRPC1

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 2 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

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 3522/4885MAPT 2674/4885

“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.