SCHEMBL7121703

SCHEMBL7121703

CC(=O)NCC1CC(c2ccc(I)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.42
MAOA P21397 4/20 0.33
MAOB P27338 2/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 2/20 0.33
MTNR1B P49286 7/20 0.33
SLC6A2 P23975 4/20 0.32

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
SCHEMBL7508213 1.00 MTNR1A (0.42) MTNR1AMAOAMAOBLMNAPTGS1
SCHEMBL7611302 0.87 MTNR1A (0.42) MTNR1AMAOAMAOBLMNAPTGS1
SCHEMBL7544832 0.86 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL13855695 0.81 GFER (0.44) MTNR1AMAOAMAOBLMNAPTGS1
SCHEMBL8658395 0.81 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7126456 0.79 CYP3A4 (0.34)
SCHEMBL7121195 0.79 CYP3A4 (0.34)
SCHEMBL8451797 0.77 MAPKAPK2 (0.39) MTNR1ASLC6A4SLC6A3SLC6A2
SCHEMBL7124429 0.76 DRD1 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL7698668 0.76 DRD1 (0.32) SLC6A4SLC6A3SLC6A2

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
US-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents SYNGENTA LIMITED (GB) 2003-09-04 US disclosed
EP-0912561-B1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-12-04 EP disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 US disclosed
EP-0912561-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1999-05-06 EP disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 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-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents CBR1, CBR3, CYP8B1 MTNR1A 821/4885MAOA 851/4885MAOB 452/4885

“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.