SCHEMBL4259693

SCHEMBL4259693

O=C1NC(=O)C2(N1)C(=O)N(Cc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.41
AKR1A1 P14550 5/20 0.41
CRHR1 P34998 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
TRAP1 Q12931 2/20 0.39
CHRM5 P08912 1/20 0.38
P2RX7 Q99572 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
ADAM17 P78536 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
SCHEMBL4262078 0.89 HSP90AA1 (0.39) CRHR1PTGDR2TRAP1P2RX7HSP90AA1
SCHEMBL4263802 0.88 AKR1B1 (0.43) AKR1B1AKR1A1PTGDR2CHRM5ADAM17
SCHEMBL4976847 0.83 TRAP1 (0.39) AKR1B1CRHR1PTGDR2TRAP1CHRM5
SCHEMBL4256761 0.81 CHRM5 (0.53) AKR1B1AKR1A1PTGDR2CHRM5
SCHEMBL4254406 0.81 AKR1B1 (0.43) AKR1B1AKR1A1PTGDR2P2RX7
SCHEMBL10955668 0.81 AKR1B1 (0.47) AKR1B1AKR1A1PTGDR2
SCHEMBL4266563 0.78 HSP90AA1 (0.37) AKR1B1PTGDR2HSP90AA1
SCHEMBL11007731 0.78 AKR1B1 (0.41) AKR1B1AKR1A1
SCHEMBL4260419 0.78 PARK7 (0.51) AKR1B1AKR1A1PTGDR2
SCHEMBL4259926 0.77 AKR1B1 (0.47) AKR1B1AKR1A1PTGDR2

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 317/4885CRHR1 222/4885

“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.