SCHEMBL4167863

SCHEMBL4167863

O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)nc1)c1ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
AKR1A1 P14550 2/20 0.44
PTGDR2 Q9Y5Y4 7/20 0.40
CHRM5 P08912 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
SCN9A Q15858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4160449 0.90 AKR1B1 (0.45) AKR1B1AKR1A1PTGDR2CHRM5
SCHEMBL4164402 0.90 ADAMTS5 (0.40) AKR1B1CHRM5TP53MAPTSMN1; SMN2
SCHEMBL4172070 0.87 SCN9A (0.44) TP53MAPTSCN9A
SCHEMBL4255735 0.84 TP53 (0.52) AKR1B1AKR1A1PTGDR2TP53MAPT
SCHEMBL10960512 0.84 AKR1A1 (0.47) AKR1B1AKR1A1PTGDR2TP53MAPT
SCHEMBL4169840 0.82 LMNA (0.39) AKR1B1AKR1A1CHRM5SMN1; SMN2
SCHEMBL3954635 0.82 PTGDR2 (0.39) AKR1B1PTGDR2CHRM5
SCHEMBL4171615 0.81 AKR1B1 (0.44) AKR1B1AKR1A1PTGDR2TP53MAPT
SCHEMBL4258971 0.80 TP53 (0.45) AKR1B1AKR1A1PTGDR2TP53MAPT
SCHEMBL4163964 0.76 AKR1B1 (0.41) AKR1B1AKR1A1CHRM5

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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 AKR1B1 344/4885AKR1A1 310/4885PTGDR2 172/4885

“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.