SCHEMBL725647

SCHEMBL725647

C=CCOC(=O)OC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSR P00390 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 3/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RHOA P61586 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 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
SCHEMBL22323630 0.82 GSR (0.43) CYP3A4CYP2C19ALDH1A1GSRMEN1
SCHEMBL27329088 0.79 GSR (0.39) CYP3A4CYP2C19ALDH1A1SMN1; SMN2GSR
SCHEMBL7594456 0.78 GSR (0.38) CYP2C19SMN1; SMN2GSRMEN1MAPT
SCHEMBL27847496 0.77 KMT2A (0.46) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL4441195 0.76 GSR (0.39) CYP3A4ALDH1A1GSRMEN1MAPT
Acrylic Acid SCHEMBL10943129 0.75 HCAR2 (0.39) CYP2C19ALDH1A1SMN1; SMN2GSRMEN1
SCHEMBL286963 0.75 GSR (0.43) CYP3A4ALDH1A1GSRMAPTKMT2A
SCHEMBL3122035 0.75 ALOX5 (0.42) ALDH1A1HSD17B10SMN1; SMN2GSRMEN1
SCHEMBL16776781 0.74 CYP3A4 (0.45) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL5932816 0.74 GSR (0.42) CYP3A4ALDH1A1GSRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133905-A1 METHODS FOR ASSEMBLING SCAVENGING PARTICLES NANOTICS, LLC 2022-05-05 US disclosed
US-11065345-B2 Methods for assembling scavenging particles NANOTICS, LLC (US) 2021-07-20 US disclosed
CN-212451364-U Flow cell and sequencing kit 伊鲁米那股份有限公司 2021-02-02 CN disclosed
CN-111321054-A Flow cell and sequencing kit 伊鲁米那股份有限公司 2020-06-23 CN disclosed
US-20200179531-A1 METHODS FOR ASSEMBLING SCAVENGING PARTICLES NANOTICS, LLC 2020-06-11 US disclosed
US-10653790-B2 Compositions and methods related to scavenger particles NANOTICS, LLC (US) 2020-05-19 US disclosed
EP-3565604-A1 METHODS FOR ASSEMBLING SCAVENGING PARTICLES Nanotics, LLC (US) 2019-11-13 EP disclosed
WO-2018213365-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-11-22 WO disclosed
EP-3383852-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Children's Medical Center Corporation (US) 2018-10-10 EP disclosed
US-20180214566-A1 COMPOSITIONS AND METHODS RELATED TO SCAVENGER PARTICLES NANOTICS, LLC 2018-08-02 US disclosed
EP-2609135-A2 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF Massachusetts Institute Of Technology (US) 2013-07-03 EP disclosed
US-20130079376-A1 PYRIDYL-2-METHYLAMINO COMPOUNDS, COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 US disclosed
WO-2012135615-A2 ENOPEPTINS, USES THEREOF, AND METHODS OF SYNTHESIS THERETO BROWN UNIVERSITY (US) 2012-10-04 WO disclosed
WO-2012047907-A9 SYNTHESIS OF C5-SUBSTITUTED TETRACYCLINES, USES THEREOF, AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-27 WO disclosed
WO-2012047907-A1 SYNTHESIS OF C5-SUBSTITUTED TETRACYCLINES, USES THEREOF, AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-04-12 WO disclosed
WO-2012027675-A2 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-01 WO disclosed
EP-2389357-A1 ANTI-INFLAMMATORY COMPLEXES Signum Biosciences, Inc. (US) 2011-11-30 EP disclosed
US-8038936-B2 Cooking device with deodorization LG ELECTRONICS INC. (KR) 2011-10-18 US disclosed
WO-2010090845-A1 ANTI-INFLAMMATORY COMPLEXES SIGNUM BIOSCIENCES, INC. (US) 2010-08-12 WO disclosed
CN-101360513-A Biodegradable and thermosensitive poly(organophosphazene) hydrogel, preparation method thereof and use thereof KOREA INST SCI & TECH (KR) 2009-02-04 CN 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-20130079376-A1 PYRIDYL-2-METHYLAMINO COMPOUNDS, COMPOSITIONS AND USES THEREOF PARK7, PSEN2, PRNP CYP3A4 1848/4885CYP2C19 792/4885ALDH1A1 3408/4885

“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.