SCHEMBL4261580

SCHEMBL4261580

O=C1NC(=O)C2(N1)C(=O)N(C/C=C/c1ccccc1)c1ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.44
AKR1A1 P14550 10/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
PARK7 Q99497 1/20 0.39
RCE1 Q9Y256 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH3A1 P30838 1/20 0.39
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4255513 0.87 PTGDR2 (0.40) AKR1B1PTGDR2ALDH1A1ALDH2RCE1
SCHEMBL4262927 0.84 AKR1B1 (0.48) AKR1B1AKR1A1
SCHEMBL4267235 0.82 AKR1B1 (0.50) AKR1B1AKR1A1PTGDR2ALDH1A1GAA
SCHEMBL4260419 0.81 PARK7 (0.51) AKR1B1AKR1A1PTGDR2ALDH1A1PARK7
SCHEMBL4164986 0.79 PARK7 (0.64) AKR1B1AKR1A1PTGDR2ALDH1A1PARK7
SCHEMBL4176442 0.77 AKR1A1 (0.46) AKR1B1AKR1A1ALDH1A1PARK7GAA
SCHEMBL4257629 0.76 PTGDR2 (0.40) AKR1B1AKR1A1PTGDR2ALDH1A1ALDH2
SCHEMBL4265626 0.76 AKR1B1 (0.46) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL949680 0.76 AKR1B1 (0.37) AKR1B1AKR1A1PTGDR2ALDH1A1ALDH2
SCHEMBL950207 0.76 AKR1B1 (0.37) AKR1B1AKR1A1PTGDR2ALDH1A1ALDH2

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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 AKR1B1 366/4885AKR1A1 317/4885PTGDR2 193/4885

“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.