SCHEMBL1162464

SCHEMBL1162464

C=CC(N=C=O)c1ccccc1.OBO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.33
ALOX15 P16050 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.31
SRC P12931 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MIF P14174 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1047388 0.93 CYP2C19 (0.35) CYP2C19LMNAALOX15KDM4ECYP3A4
Formic Acid SCHEMBL1162475 0.90 CYP2D6 (0.35) CYP2C19LMNAALOX15KDM4ECYP3A4
Phosphonic Acid SCHEMBL1162520 0.88 CYP2C19 (0.34) CYP2C19LMNAALOX15KDM4ECYP3A4
SCHEMBL28429021 0.88 CYP2C19 (0.34) CYP2C19LMNAALOX15KDM4ECYP3A4
SCHEMBL5800479 0.80 PGK1 (0.31)
SCHEMBL29812875 0.74 CYP2D6 (0.35) LMNATSHRCYP2D6SRCMIF
SCHEMBL6889278 0.74 MIF (0.34) CYP2C19ALOX15KDM4ECYP3A4MAPT
SCHEMBL4443347 0.74 MIF (0.52) CYP2C19ALOX15KDM4ECYP3A4MAPT
SCHEMBL1563451 0.74 TRPA1 (0.36) LMNACYP2D6SRCHPGDKMT2A
SCHEMBL3519342 0.71 MIF (0.36) MEN1KMT2AMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256413-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION (US) 2023-08-17 US disclosed
EP-4129466-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER Waters Technologies Corporation (US) 2023-02-08 EP disclosed
US-20210220753-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2021-07-22 US disclosed
US-10974167-B2 High purity chromatographic materials comprising an ionizable modifier WATERS TECHNOLOGIES CORPORATION (US) 2021-04-13 US disclosed
EP-2714225-B1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORP (US) 2020-11-11 EP disclosed
US-20200332028-A1 CHARGED SURFACE REVERSED PHASE CHROMATOGRAPHIC MATERIALS METHOD FOR ANALYSIS OF GLYCANS MODIFIED WITH AMPHIPATHIC, STRONGLY BASIC MOIETIES WATERS TECHNOLOGIES CORPORATION 2020-10-22 US disclosed
EP-3687652-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES Waters Technologies Corporation (US) 2020-08-05 EP disclosed
US-20190134604-A1 POROUS MATERIALS WITH CONTROLLED POROSITY; PROCESS FOR THE PREPARATION THEREOF; AND USE THEREOF FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION 2019-05-09 US disclosed
US-20190126241-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION 2019-05-02 US disclosed
US-20190091606-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2019-03-28 US disclosed
US-20170242028-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION 2017-08-24 US disclosed
US-9588130-B2 Methods for quantifying polypeptides using mass spectrometry WATERS TECHNOLOGIES CORPORATION (US) 2017-03-07 US disclosed
US-20150087073-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION 2015-03-26 US disclosed
US-20140338429-A1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2014-11-20 US disclosed
US-20130319086-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2013-12-05 US disclosed
WO-2013158277-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION (US) 2013-10-24 WO disclosed
WO-2012166916-A1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2012-12-06 WO disclosed
US-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2012-11-01 US disclosed
EP-2462188-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER Waters Technologies Corporation (US) 2012-06-13 EP disclosed
WO-2011017418-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2011-02-10 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-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER SPECC1L, SAMM50, RAB5IF CYP2C19 1101/4885LMNA 614/4885ALOX15 2391/4885

“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.