SCHEMBL826630

SCHEMBL826630

O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.44
NAMPT P43490 1/20 0.44
XDH P47989 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PRKCA P17252 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
METAP1 P53582 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL29851568 0.89 ABL1 (0.57) TSHRLMNACYP3A4ALDH1A1ABL1
SCHEMBL7032457 0.89 ABL1 (0.57) TSHRLMNACYP3A4ALDH1A1ABL1
SCHEMBL545799 0.85 ABL1 (0.53) TSHRLMNACYP3A4ABL1BCR
SCHEMBL21624991 0.83 NPC1 (0.42) TSHRLMNAXDHCES1TDP1
SCHEMBL546042 0.82 ABL1 (0.44) TSHRLMNACYP3A4CES1ALDH1A1
SCHEMBL23365096 0.80 NPC1 (0.42) TSHRLMNACYP3A4CES1ALDH1A1
SCHEMBL546381 0.80 ABL1 (0.59) LMNATDP1ABL1BCRPRKCA
SCHEMBL29978954 0.80 NPC1 (0.42) TSHRLMNACYP3A4CES1ALDH1A1
SCHEMBL28720537 0.80 TSHR (0.48) TSHRLMNACYP3A4NAMPTXDH
SCHEMBL18742307 0.79 MAPT (0.47) TSHRLMNACYP3A4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605306-A Method for synthesizing organic sulfur compound based on alkyl xanthate and application thereof 南京师范大学 2022-06-10 CN claimed
US-12606583-B2 Iron bipyridine complex, preparation method of the same, and use of the same in polymerization of conjugated dienes QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2026-04-21 US disclosed
CN-119661594-A Fluorosulfonyl salt and preparation method and application thereof 上海应用技术大学 2025-03-21 CN disclosed
CN-113683557-B Application of cyclopentadienyl iridium/rhodium dimer 南京师范大学 2023-07-14 CN disclosed
US-20230028849-A1 IRON BIPYRIDINE COMPLEX, PREPARATION METHOD OF THE SAME, AND USE OF THE SAME IN POLYMERIZATION OF CONJUGATED DIENES QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2023-01-26 US disclosed
US-20230028849-A1 IRON BIPYRIDINE COMPLEX, PREPARATION METHOD OF THE SAME, AND USE OF THE SAME IN POLYMERIZATION OF CONJUGATED DIENES QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2023-01-26 US disclosed
EP-3808753-B1 BIPYRIDINE IRON COMPLEX, PREPARATION METHOD THEREOF AND APPLICATION IN POLYMERIZATION OF CONJUGATED DIENE QINGDAO INST BIOENERGY & BIOPROCESS TECH CAS (CN) 2022-08-03 EP disclosed
CN-114605306-B Method for synthesizing organic sulfur compound based on alkyl xanthate and application thereof 南京师范大学 2022-07-29 CN disclosed
CN-114605306-A Method for synthesizing organic sulfur compound based on alkyl xanthate and application thereof 南京师范大学 2022-06-10 CN disclosed
CN-110452272-B Bipyridine iron complex, preparation method thereof and application thereof in conjugated diene polymerization 中国科学院青岛生物能源与过程研究所 2022-03-01 CN disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed
US-5811236-A QUANTITATIVE, QUALITATIVE ANALYSIS IGEN INTERNATIONAL, INC. (US) 1998-09-22 US disclosed
US-5716781-A FORMING A SOLUTION CONTAINING AN ANALYTE COMPRISING FIRST CHEMILUMINESCENT COMPLEX AND AN INTERNAL STANDARD CONTAINING OSMIUM BIPYRIDYL COMPLEX, INDEPENDENTLY MEASURING ELECTROLUMINESCENCE EMITTED BY ANALYTE AND STANDARD IGEN INTERNATIONAL INC. (US) 1998-02-10 US disclosed
US-5591581-A Electrochemiluminescent rhenium moieties and methods for their use IGEN, INC. (US) 1997-01-07 US disclosed
EP-0339086-B1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN INC (US) 1996-09-11 EP disclosed
EP-0674176-A1 Electrochemiluminescent rhenium moieties and methods of production IGEN, INC. (US) 1995-09-27 EP disclosed
EP-0411935-A2 Copper radio sensitizers JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1991-02-06 EP disclosed
EP-0339086-A4 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS. IGEN INC (US) 1990-02-20 EP disclosed
EP-0339086-A1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN, INC. (US) 1989-11-02 EP disclosed
WO-1989004302-A1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN, INC. (US) 1989-05-18 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 (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-20230028849-A1 IRON BIPYRIDINE COMPLEX, PREPARATION METHOD OF THE SAME, AND USE OF THE SAME IN POLYMERIZATION OF CONJUGATED DIENES TFRC, FTH1, WEE2 TSHR 2922/4885LMNA 2013/4885CYP3A4 2470/4885
US-12606583-B2 Iron bipyridine complex, preparation method of the same, and use of the same in polymerization of conjugated dienes FTH1, TFRC, HMOX2 TSHR 2271/4885LMNA 407/4885CYP3A4 782/4885

“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.