SCHEMBL20161758

SCHEMBL20161758

Cn1c2c(c(=O)n(C)c1=O)N(C=O)CN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ATAD2 Q6PL18 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ TMIGD3 P0DMS9 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL4532619 0.72 ALDH1A1 (0.41) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL4532617 0.70 ALDH1A1 (0.40) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL10587862 0.68 ALDH1A1 (0.38) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL4518207 0.67 TSHR (0.38) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL19036772 0.66 ALDH1A1 (0.36) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL20561158 0.64 ALDH1A1 (0.62) ALDH1A1POLBMAPT
SCHEMBL6480956 0.61 ALDH1A1 (0.36) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL21891275 0.59 ALDH1A1 (0.33) ALDH1A1THRBPOLBADORA3ADORA2A
SCHEMBL4058851 0.58 KMT2A (0.33) ALDH1A1KDM4EADORA2AADORA2B
Iodide SCHEMBL1609671 0.57 KMT2A (0.32) ALDH1A1KDM4EADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885THRB 1630/4885POLB 3878/4885

“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.

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