SCHEMBL9296302

SCHEMBL9296302

Cc1c(O)ccc(N=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.42
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 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
SCHEMBL20582829 0.84 RPS6KA3 (0.47) RPS6KA3MAPTNPC1RAB9AKDM4E
SCHEMBL8570282 0.82 NPSR1 (0.37) RPS6KA3MAPTNPC1RAB9AKDM4E
SCHEMBL9860043 0.80 KDM4E (0.38) RPS6KA3MAPTNPC1RAB9AKDM4E
SCHEMBL3078639 0.78 MAPT (0.42) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3087121 0.77 ALDH1A1 (0.39) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2602613 0.74 MAPT (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL13094307 0.73 ALDH1A1 (0.39) RPS6KA3MAPTNPC1RAB9AKDM4E
SCHEMBL457151 0.73 TRPA1 (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1002641 0.73 KDM4E (0.39) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3708636 0.72 TRPA1 (0.46) MAPTKDM4EALDH1A1TDP1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
CN-108473788-A Disazo colorants for use as bluing agents 美利肯公司 2018-08-31 CN disclosed
WO-2012024394-A2 COMPOSITIONS COMPRISING PAULOWNIN AND/OR PAULOWNIA EXTRACTS AND USES THEREOF JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2012-02-23 WO disclosed
WO-2012024403-A2 METHODS OF TREATING CELLULITE JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2012-02-23 WO disclosed
EP-0156347-B1 GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed
US-4988497-A Diagnostic test for acute pancreatitus or cancer of the pancreas; sensitivity; colorimetry S BOEHRINGER MANNHEIM GMBH (DE) 1991-01-29 US disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0209875-B1 RESORUFIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION Roche Diagnostics GmbH (DE) 1990-08-29 EP disclosed
US-4847376-A COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 US disclosed
US-4737466-A N-acyldihydroresorufin derivatives, processes for their preparation, reagents containing them and the use thereof for determining hydrogen peroxide, peroxidate-acting compounds or peroxidase BOEHRINGER MANNHEIM GMBH (DE) 1988-04-12 US disclosed
US-4719097-A Phosphates of resorufin derivatives and compositions thereof for the determination of the activity of phosphatases BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US disclosed
EP-0210559-A2 N-Acyldihydroresorufin derivatives, process for their preparation as well as their use for the determination of hydrogen peroxide, peroxidatically active compounds, or peroxidase Roche Diagnostics GmbH (DE) 1987-02-04 EP disclosed
EP-0209875-A1 Resorufin derivatives and process for their preparation Roche Diagnostics GmbH (DE) 1987-01-28 EP disclosed
EP-0207252-A2 Aromatic hydroxy- or thiol derivatives of carbonic-acid esters as lipase substrates Roche Diagnostics GmbH (DE) 1987-01-07 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 (4 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 RPS6KA3 2802/4885MAPT 2213/4885NPC1 198/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 RPS6KA3 2802/4885MAPT 2213/4885NPC1 198/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 RPS6KA3 2802/4885MAPT 2213/4885NPC1 198/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 RPS6KA3 2802/4885MAPT 2213/4885NPC1 198/4885

“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.