SCHEMBL4169748

SCHEMBL4169748

O=C1NC(=O)C2(N1)C(=O)N(CCn1cccc1)c1ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.48
AKR1A1 P14550 2/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.41
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
MMP17 Q9ULZ9 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK2 O95069 1/20 0.35

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
SCHEMBL4169609 0.86 AKR1B1 (0.48) AKR1B1AKR1A1
SCHEMBL4167713 0.86 AKR1B1 (0.40) AKR1B1MAPTMEN1ALDH1A1LMNA
SCHEMBL4169851 0.84 ITGA4 (0.44) AKR1B1AKR1A1MAPTMEN1ALDH1A1
SCHEMBL4164476 0.83 CNR1 (0.51) AKR1B1AKR1A1PTGDR2MAPTTP53
SCHEMBL4260787 0.81 AKR1B1 (0.48) AKR1B1AKR1A1PTGDR2MAPTTP53
SCHEMBL4261416 0.81 AKR1B1 (0.48) AKR1B1AKR1A1PTGDR2
SCHEMBL4167292 0.81 PTGDR2 (0.49) AKR1B1AKR1A1PTGDR2MAPTMMP2
SCHEMBL4255735 0.81 TP53 (0.52) AKR1B1AKR1A1PTGDR2MAPTTP53
SCHEMBL4166000 0.80 HPGD (0.46) AKR1B1AKR1A1PTGDR2MAPTALDH1A1
SCHEMBL4167818 0.80 AKR1B1 (0.46) AKR1B1AKR1A1PTGDR2MMP2MMP3

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 AKR1B1 344/4885AKR1A1 310/4885PTGDR2 172/4885

“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.