SCHEMBL5937229

SCHEMBL5937229

CCOC(=O)c1[nH]nc(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ SLC34A1 Q06495 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41

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
SCHEMBL5937404 0.86 KDM4E (0.43) ALDH1A1MAPTKDM4EHSD17B10HPGDS
SCHEMBL5317300 0.83 HDAC6 (0.54) ALDH1A1MAPTKDM4EHSD17B10RAB9A
SCHEMBL27321802 0.82 RAB9A (0.63) ALDH1A1MAPTKDM4EHSD17B10RAB9A
SCHEMBL5937211 0.82 RAB9A (0.49) ALDH1A1MAPTRAB9ATRPA1SMN1; SMN2
SCHEMBL7460449 0.82 PDE4D (0.52) ALDH1A1MAPTKDM4EHPGDSTRPA1
SCHEMBL7456165 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDSTRPA1FNTA
SCHEMBL7455310 0.78 FNTA (0.44) ALDH1A1KDM4EHPGDSTRPA1FNTA
SCHEMBL19624845 0.78 MAPT (0.54) ALDH1A1MAPTKDM4EHSD17B10RAB9A
SCHEMBL22890673 0.76 HSD17B10 (0.48) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL19624694 0.76 MAPT (0.46) ALDH1A1MAPTKDM4EHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 — — US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 — — EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 — — WO 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-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 ALDH1A1 1304/4885MAPT 3892/4885KDM4E 842/4885

“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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