SCHEMBL4166000

SCHEMBL4166000

O=C1NC(=O)C2(N1)C(=O)N(CCOc1ccccc1)c1ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
AKR1A1 P14550 2/20 0.46
AKR1B1 P15121 2/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
PLA2G7 Q13093 1/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4176442 0.87 AKR1A1 (0.46) AKR1A1AKR1B1ALDH1A1GAAPLA2G7
SCHEMBL4170549 0.87 ALDH1A1 (0.52) HPGDALDH1A1GAAPLA2G7LMNA
SCHEMBL4170642 0.86 AKR1B1 (0.42) HPGDAKR1A1AKR1B1ALDH1A1GAA
SCHEMBL4167292 0.84 PTGDR2 (0.49) AKR1A1AKR1B1ALDH1A1PTGDR2LMNA
SCHEMBL4164476 0.84 CNR1 (0.51) AKR1A1AKR1B1ALDH1A1PTGDR2LMNA
SCHEMBL4167818 0.83 AKR1B1 (0.46) AKR1A1AKR1B1PTGDR2
SCHEMBL4255735 0.82 TP53 (0.52) AKR1A1AKR1B1ALDH1A1PTGDR2MAPT
SCHEMBL4167219 0.81 PLA2G7 (0.51) AKR1A1AKR1B1PLA2G7
SCHEMBL4169748 0.80 AKR1B1 (0.48) AKR1A1AKR1B1ALDH1A1PTGDR2LMNA
SCHEMBL4260787 0.78 AKR1B1 (0.48) AKR1A1AKR1B1ALDH1A1PTGDR2LMNA

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 HPGD 989/4885AKR1A1 310/4885AKR1B1 344/4885

“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.