SCHEMBL4176442

SCHEMBL4176442

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 8/20 0.46
AKR1B1 P15121 8/20 0.46
PARK7 Q99497 1/20 0.44
PLA2G7 Q13093 4/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL4167219 0.94 PLA2G7 (0.51) AKR1A1AKR1B1PARK7PLA2G7NPC1
SCHEMBL4166000 0.87 HPGD (0.46) AKR1A1AKR1B1PLA2G7ALDH1A1GAA
SCHEMBL4170549 0.87 ALDH1A1 (0.52) PLA2G7ALDH1A1GAANPC1RAB9A
SCHEMBL4159499 0.87 AKR1B1 (0.43) AKR1A1AKR1B1PARK7PLA2G7ALDH1A1
SCHEMBL4159430 0.85 PLA2G7 (0.50) AKR1A1AKR1B1PLA2G7ALDH1A1NPC1
SCHEMBL4164837 0.84 AKR1B1 (0.48) AKR1A1AKR1B1PARK7MAPT
SCHEMBL4164986 0.84 PARK7 (0.64) AKR1A1AKR1B1PARK7ALDH1A1MAPT
SCHEMBL4171777 0.83 AKR1B1 (0.46) AKR1A1AKR1B1PARK7
SCHEMBL4260419 0.81 PARK7 (0.51) AKR1A1AKR1B1PARK7ALDH1A1
SCHEMBL4174577 0.81 AKR1B1 (0.46) AKR1A1AKR1B1PARK7

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 AKR1A1 310/4885AKR1B1 344/4885PARK7 1295/4885

“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.