SCHEMBL496226

SCHEMBL496226

O=COCc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SRC P12931 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42

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
SCHEMBL28882606 0.93 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL155768 0.81 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL155769 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL18173523 0.81 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11047720 0.80 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3364326 0.79 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL496224 0.79 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3121631 0.78 MEN1 (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL26876840 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3361206 0.78 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1POLB

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744101-A Photolabile nucleoside protecting groups AFFYMAX TECHNOLOGIES N.V. (GB) 1998-04-28 US claimed
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US claimed
US-5252743-A Using cage binding compound AFFYMAX TECHNOLOGIES N.V. (NL) 1993-10-12 US claimed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP claimed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP claimed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO claimed
US-20190255503-A1 SILANE MIXTURES AFFYMETRIX, INC. 2019-08-22 US disclosed
US-20170136435-A1 Silane Mixtures AFFYMETRIX, INC. 2017-05-18 US disclosed
US-9556360-B2 Silane mixtures AFFYMETRIX, INC. (US) 2017-01-31 US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US disclosed
US-20120094872-A1 SILANE MIXTURES AFFYMETRIX, INC. (US) 2012-04-19 US disclosed
US-8105821-B2 Silane mixtures AFFYMETRIX, INC. (US) 2012-01-31 US disclosed
US-7659050-B2 High resolution silicon-containing resist INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-02-09 US disclosed
WO-1993022680-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF OLIGONUCLEOTIDES AND OTHER BIOLOGICAL POLYMERS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1993-11-11 WO disclosed
US-5252743-A Using cage binding compound AFFYMAX TECHNOLOGIES N.V. (NL) 1993-10-12 US disclosed
EP-0562025-A1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (AN) 1993-09-29 EP disclosed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP disclosed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP disclosed
WO-1992010092-A1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (AN) 1992-06-25 WO disclosed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 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-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT MAPT 701/4885MEN1 2495/4885KMT2A 1673/4885

“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.