SCHEMBL4169745

SCHEMBL4169745

Cc1noc(C)c1CN1C(=O)C2(NC(=O)NC2=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.42
AKR1B1 P15121 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TAS2R8 Q9NYW2 5/20 0.38
ITGA4 P13612 1/20 0.37
MAPK1 P28482 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL4176331 0.87 TSHR (0.57) TSHRHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4167952 0.85 TSHR (0.50) TSHRHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4167051 0.85 PTGDR2 (0.54) TSHRHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4164579 0.77 TSHR (0.47) TSHRHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4254336 0.76 ALDH1A1 (0.51) HSD17B10ALDH1A1ITGA4
SCHEMBL4159522 0.73 SCN9A (0.40) TSHRHTTHSD17B10ALDH1A1AKR1B1
SCHEMBL4253018 0.73 AKR1B1 (0.60) ALDH1A1AKR1B1ITGA4
SCHEMBL4155878 0.72 LMNA (0.38) ALDH1A1AKR1B1ITGA4
SCHEMBL4259950 0.72 TP53 (0.50) AKR1B1POLB
SCHEMBL5660564 0.72 TSHR (0.45) TSHRHTTSMN1; SMN2HSD17B10ALDH1A1

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 TSHR 401/4885HTT 2355/4885SMN1; SMN2 2877/4885

“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.