SCHEMBL4172070

SCHEMBL4172070

O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)nc1)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.44
ALDH1A1 P00352 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
ALPL P05186 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL4167863 0.87 AKR1B1 (0.44) SCN9ATP53MAPT
SCHEMBL4160449 0.85 AKR1B1 (0.45)
SCHEMBL4164402 0.85 ADAMTS5 (0.40) ALDH1A1TP53MAPT
SCHEMBL4254336 0.84 ALDH1A1 (0.51) SCN9AALDH1A1TP53MAPTTHRB
SCHEMBL10802626 0.82 APAF1 (0.48) SCN9AALDH1A1TP53MAPTALPL
SCHEMBL4155878 0.80 LMNA (0.38) SCN9AALDH1A1TP53MAPTALPL
SCHEMBL10955719 0.79 SCN9A (0.41) SCN9AALDH1A1TP53MAPTALPL
SCHEMBL4257897 0.79 MAPT (0.40) SCN9AALDH1A1TP53MAPTTHRB
SCHEMBL10954920 0.79 ALPL (0.41) SCN9AALDH1A1TP53ALPLITGA4
SCHEMBL4169840 0.78 LMNA (0.39) ALDH1A1

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 SCN9A 176/4885ALDH1A1 550/4885TP53 2848/4885

“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.