SCHEMBL5046814

SCHEMBL5046814

COc1ccc(C2CCCCC2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
CCR2 P41597 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
KDM1A O60341 2/20 0.42
SPTLC2 O15270 3/20 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
SCHEMBL5046817 1.00 KMT2A (0.52) KMT2ATAS1R3TAS1R1CCR2PTGS2
SCHEMBL8206232 0.91 CA1 (0.50) KMT2ATAS1R3TAS1R1CCR2PDE4A
SCHEMBL8206229 0.91 CA1 (0.50) KMT2ATAS1R3TAS1R1CCR2PDE4A
SCHEMBL6167797 0.89 SPTLC2 (0.45) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL6167795 0.89 SPTLC2 (0.45) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL7204083 0.87 TAS1R3 (0.51) KMT2ATAS1R3TAS1R1PDE4APDE4B
SCHEMBL5737318 0.87 TAS1R3 (0.51) KMT2ATAS1R3TAS1R1PDE4APDE4B
SCHEMBL5053376 0.87 TAS1R3 (0.51) KMT2ATAS1R3TAS1R1PDE4APDE4B
SCHEMBL7402512 0.86 MCHR1 (0.52) KMT2ATAS1R3TAS1R1PDE4APDE4B
SCHEMBL7402511 0.86 MCHR1 (0.52) KMT2ATAS1R3TAS1R1PDE4APDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
US-6630483-B2 Phenanthridine-N-oxides ALTANA PHARMA AG (DE) 2003-10-07 US disclosed
US-20030105123-A1 For therapy of respiratory system disorders ALTANA PHARMA AG (DE) 2003-06-05 US disclosed
EP-1250325-A1 PHENANTHRIDINE-N-OXIDES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
WO-2001051470-A1 PHENANTHRIDINE-N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 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-20030105123-A1 For therapy of respiratory system disorders CHRM3, CYP11B1, CYP11B2 KMT2A 3871/4885TAS1R3 1467/4885TAS1R1 1879/4885

“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.