SCHEMBL5416591

SCHEMBL5416591

CN(O)C(=O)c1ccc(-n2nc(CCCO)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
ALOX5 P09917 1/20 0.60
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 2/20 0.53
MALT1 Q9UDY8 16/20 0.53
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 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
SCHEMBL9520169 0.80 RXRA (0.56) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL5387633 0.79 PTGS2 (0.69) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL6309492 0.75 PTGS2 (0.66) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9520300 0.75 ALOX5 (0.79) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL75441 0.75 PTGS2 (1.00) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL9519652 0.74 PTGS2 (0.98) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL6310403 0.73 PTGS2 (0.74) PTGS2ALOX5
SCHEMBL9519402 0.73 PTGS2 (0.71) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9080028 0.72 PTGS2 (0.81) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9522439 0.71 PTGS2 (0.79) PTGS2ALOX5RXRARXRBRXRG

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-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US claimed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP claimed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO claimed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885ALOX5 1143/4885RXRA 3858/4885

“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.