SCHEMBL953500

SCHEMBL953500

O=C1C(=O)N(CC=Cc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
ALDH3A1 P30838 2/20 0.60
RCE1 Q9Y256 1/20 0.60
ALDH2 P05091 2/20 0.54
CES1 P23141 8/20 0.46
BCHE P06276 4/20 0.46
CHRM5 P08912 3/20 0.46
ACHE P22303 2/20 0.46
APAF1 O14727 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TGM2 P21980 1/20 0.42

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
SCHEMBL953499 1.00 ALDH1A1 (0.60) ALDH1A1ALDH3A1RCE1ALDH2CES1
SCHEMBL950201 0.86 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1ALDH2CES1
SCHEMBL950200 0.86 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1ALDH2CES1
SCHEMBL4727488 0.78 ALDH1A1 (0.72) ALDH1A1ALDH3A1ALDH2CES1BCHE
SCHEMBL16798771 0.76 ALDH1A1 (1.00) ALDH1A1ALDH3A1RCE1ALDH2CES1
SCHEMBL16798772 0.76 ALDH1A1 (1.00) ALDH1A1ALDH3A1RCE1ALDH2CES1
SCHEMBL3949285 0.73 CHRM5 (0.57) ALDH1A1ALDH2CHRM5
SCHEMBL3949287 0.73 CHRM5 (0.57) ALDH1A1ALDH2CHRM5
SCHEMBL949825 0.73 AR (0.34) ALDH1A1ALDH3A1RCE1ALDH2MAPT
SCHEMBL950142 0.73 AR (0.34) ALDH1A1ALDH3A1RCE1ALDH2MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013215-A2 NOVEL SPIRO[IMIDAZOLIDINE-4,3'-INDOLE]-2,2',5(1'H)-TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2009-01-14 EP claimed
WO-2007091947-A2 NOVEL SPIRO[IMIDAZOLIDINE-4,3'-INDOLE]-2,2',5(1'H)-TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO claimed
US-20070185179-A1 New compounds ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-7868181-B2 Compounds ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090137650-A1 New Compounds LEUNG CARMEN 2009-05-28 US disclosed
EP-2013215-A2 NOVEL SPIRO[IMIDAZOLIDINE-4,3'-INDOLE]-2,2',5(1'H)-TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007091947-A2 NOVEL SPIRO[IMIDAZOLIDINE-4,3'-INDOLE]-2,2',5(1'H)-TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-20070185179-A1 New compounds ASTRAZENECA AB (SE) 2007-08-09 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 (2 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-20090137650-A1 New Compounds CLIC1, AQP1, AVPR2 ALDH1A1 1551/4885ALDH3A1 2412/4885RCE1 67/4885
US-20070185179-A1 New compounds CLIC1, AQP1, AVPR2 ALDH1A1 1551/4885ALDH3A1 2412/4885RCE1 67/4885

“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.