SCHEMBL95864

SCHEMBL95864

O=[C]Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
TDP1 Q9NUW8 3/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ESR2 Q92731 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8983353 0.83 GPR35 (0.50) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL30255416 0.82 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL530340 0.82 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL11802004 0.79 ALDH1A1 (0.59) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL7434038 0.79 TDP1 (0.52) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL39472 0.79 HPGD (0.78) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL28056476 0.77 L3MBTL1 (0.81) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL26509809 0.77 ALDH1A1 (0.67) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8891 0.76 RAB9A (0.68) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL7296254 0.76 GPR35 (0.50) ALDH1A1TDP1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022112944-A1 NANOSYSTEM FOR DIAGNOSIS AND PHOTOTHERMAL TREATMENT OF TUMORS UNIVERSITÀ DEGLI STUDI DI PALERMO (IT) 2022-06-02 WO claimed
WO-2022005988-A2 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 WO claimed
EP-3291792-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'Oréal (FR) 2018-03-14 EP claimed
CN-107709306-A NRF2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2018-02-16 CN claimed
WO-2016177908-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2016-11-10 WO claimed
EP-2206706-B1 Method for producing acylamide compounds SALTIGO GMBH (DE) 2013-07-10 EP claimed
EP-2594651-A1 Analysis of methylation sites Vilnius University (LT) 2013-05-22 EP claimed
EP-2206705-B1 Method for manufacturing benzomorpholine derivatives through hydration of o-nitrophenoxycarbonyl compounds SALTIGO GMBH (DE) 2013-03-13 EP claimed
US-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-28 US claimed
CN-102939292-A Spirocyclic compounds and their use as therapeutic agents and diagnostic probes UNIV BASEL 2013-02-20 CN claimed
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP claimed
EP-1940452-A2 CGRP PEPTIDE ANTAGONISTS AND CONJUGATES Amgen, Inc (US) 2008-07-09 EP claimed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 US claimed
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 EP claimed
WO-2007048026-A2 CGRP PEPTIDE ANTAGONISTS AND CONJUGATES AMGEN INC. (US) 2007-04-26 WO claimed
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP claimed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP claimed
EP-0392384-B1 Targeted forms of methyltrithio antitumor agents AMERICAN CYANAMID CO (US) 1998-02-18 EP claimed
EP-0392384-A2 Targeted forms of methyltrithio antitumor agents AMERICAN CYANAMID COMPANY (US) 1990-10-17 EP claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed

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-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP POLL, POLRMT, POLN ALDH1A1 1877/4885TDP1 296/4885NPC1 3926/4885
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions EBPL, AEBP2, NAPA ALDH1A1 1605/4885TDP1 3027/4885NPC1 4884/4885

“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.