SCHEMBL16563089

SCHEMBL16563089

CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.75
▸ GAA P10253 3/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ HPGD P15428 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.75
▸ HTT P42858 1/20 0.71
▸ POLB P06746 1/20 0.69
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ACHE P22303 3/20 0.57
▸ CDC7 O00311 5/20 0.56
▸ DBF4 Q9UBU7 5/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL15976546 0.86 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL11017680 0.84 HTT (0.76) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16851068 0.82 GAA (0.79) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL5710179 0.81 HTT (0.70) ALDH1A1GAASMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL10377238 0.80 ADORA3 (0.56) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16851059 0.77 SMN1; SMN2 (0.74) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL14352130 0.76 ALDH1A1 (0.59) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16851065 0.76 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16851064 0.76 SMN1; SMN2 (0.72) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL10377442 0.76 KDM4E (0.65) ALDH1A1GAASMN1; SMN2LMNAHPGD

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
US-10179768-B2 Electrochromic two-core viologen derivatives and optical articles containing them ESSILOR INTERNATIONAL (FR) 2019-01-15 — — US disclosed
EP-2848668-B1 Electrochromic two-core viologen derivatives and optical articles containing them ESSILOR INT (FR) 2019-01-09 — — EP disclosed
CN-105555910-B Electrochromic two-cores viologen derivative and optical article containing the two-cores viologen derivative 依视路国际公司 2018-11-02 — — CN disclosed
US-20160221949-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQU E) (FR) 2016-08-04 — — US disclosed
CN-105555910-A Electrochromic two-core viologen derivatives and optical articles containing them ESSILOR INT CIE GENERALE D'OPTIQUE 2016-05-04 — — CN disclosed
WO-2015040031-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-03-26 — — WO disclosed
WO-2015040031-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-03-26 — — WO disclosed
EP-2848668-A1 Electrochromic two-core viologen derivatives and optical articles containing them ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2015-03-18 — — EP 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-20160221949-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM EYA2, CRY2, PPOX ALDH1A1 2634/4885GAA 4625/4885SMN1; SMN2 4767/4885
US-10179768-B2 Electrochromic two-core viologen derivatives and optical articles containing them EYA2, CRY2, PPOX ALDH1A1 2634/4885GAA 4625/4885SMN1; SMN2 4767/4885

“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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