SCHEMBL3694658

SCHEMBL3694658

C=CC(=O)OCCNC(=O)OCCc1ccc(N=Nc2cc(C(=O)c3ccccc3)c(O)cc2O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
APP P05067 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
PPARG P37231 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33

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
SCHEMBL3694655 1.00 L3MBTL1 (0.34) L3MBTL1THRBNPSR1ALOX5SMN1; SMN2
SCHEMBL16693386 0.92 L3MBTL1 (0.40) L3MBTL1THRBALOX5SMN1; SMN2APP
SCHEMBL16693328 0.88 SIRT5 (0.41) THRBNPSR1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3196968 0.87 PPARA (0.34) L3MBTL1NPSR1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1803270 0.87 PPARA (0.34) L3MBTL1NPSR1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16693225 0.83 THRB (0.39) L3MBTL1THRBALDH1A1CYP3A4HPGD
SCHEMBL8855913 0.83 ALDH1A1 (0.39) L3MBTL1NPSR1ALDH1A1CYP3A4HPGD
SCHEMBL7174796 0.83 ALDH1A1 (0.39) L3MBTL1NPSR1ALDH1A1CYP3A4HPGD
SCHEMBL16693281 0.82 MAPT (0.47) L3MBTL1NPSR1ALOX5ALDH1A1CYP3A4
SCHEMBL3258581 0.82 CHRNB2 (0.34) NPSR1SMN1; SMN2ALDH1A1HPGDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017716-B2 Ophthalmic lens MENICON CO., LTD. (JP) 2015-04-28 US disclosed
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS MENICON CO., LTD. (JP) 2013-08-08 US disclosed
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed
US-20120148519-A1 OPHTHALMIC LENS MENICON CO., LTD. (JP) 2012-06-14 US disclosed
EP-2453293-A1 OPHTHALMIC LENS Menicon Co., Ltd. (JP) 2012-05-16 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-20120148519-A1 OPHTHALMIC LENS AQP4, CRYAA, UACA L3MBTL1 4009/4885THRB 2995/4885NPSR1 4261/4885
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 L3MBTL1 1936/4885THRB 4713/4885NPSR1 4431/4885

“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.