SCHEMBL7126966

SCHEMBL7126966

CC(=O)N[C@@H]1OC(=O)C(c2ccc(C3=CCNCC3)c(F)c2)=C1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CD274 Q9NZQ7 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTR2C P28335 3/20 0.34
HTR6 P50406 2/20 0.34
WNT3A P56704 2/20 0.34
PRMT5 O14744 3/20 0.33
NAMPT P43490 1/20 0.33
QDPR P09417 2/20 0.33
BTK Q06187 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL7126174 0.87 QDPR (0.42) HTR2CWNT3ANAMPTQDPR
SCHEMBL7116790 0.84 PDE3B (0.37) PDE3BPDE3AMAOA
SCHEMBL7125145 0.80
SCHEMBL7117917 0.79 CCNT1 (0.39) CCNT1CDK9NAMPTBTKMAOA
SCHEMBL7121158 0.77 PDK4 (0.45) CDK9HTR6WNT3APRMT5NAMPT
SCHEMBL8639955 0.76 MAPKAPK2 (0.42) PDE3BPDE3AMAOA
SCHEMBL8445812 0.74 MAOA (0.40) CCNT1CDK9CD274PDE3BPDE3A
SCHEMBL7127713 0.69 BRD4 (0.36) PDE3BPDE3A
SCHEMBL8643572 0.68 ADRB1 (0.40) HTR6
SCHEMBL8311721 0.68 F2 (0.33)

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-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-6350775-B1 AGAINST GRAMPOSITIVE BACTERIA ZENECA LIMITED (GB) 2002-02-26 US disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 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-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents CBR1, CBR3, CYP8B1 CCNT1 1733/4885CDK9 3654/4885CD274 3714/4885

“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.