SCHEMBL1258484

SCHEMBL1258484

Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.56
TSHR P16473 5/20 0.56
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
ALOX15 P16050 2/20 0.56
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL30393904 1.00 CYP3A4 (0.56) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL3243151 0.92 MAPT (0.60) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL9378154 0.89 MAPT (0.58) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL19511923 0.88 MAPT (0.62) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL28270438 0.87 CYP3A4 (0.50) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL24570650 0.83 ALDH1A1 (0.47) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL8002989 0.83 ALDH1A1 (0.53) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL11207797 0.83 TSHR (0.59) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL10942341 0.83 ALDH1A1 (0.71) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL1192850 0.83 ALDH1A1 (0.71) CYP3A4TSHRALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471019-B 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof 浙江工业大学 2021-10-01 CN claimed
CN-112409364-A Hexaazanaphthalene derivative and preparation method and application thereof 常州大学 2021-02-26 CN claimed
CN-111471019-A 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof 浙江工业大学 2020-07-31 CN claimed
CN-108658993-B Pyreneimide derivative and synthesis method and application thereof 兰州大学 2020-07-10 CN claimed
CN-101270089-B Benzimidazole-containing chromophore and synthetic method thereof UNIV ZHEJIANG 2012-05-02 CN claimed
CN-101270089-A Chromogen containing benzimidazole and synthesizing process UNIV ZHEJIANG (CN) 2008-09-24 CN claimed
CN-1098842-C Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 2003-01-15 CN claimed
CN-1218804-A Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 1999-06-09 CN claimed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
CN-116143790-A Functionalized hexaazabenzophenanthryl lithium ion battery positive electrode material, and preparation method and application thereof 北京化工大学 2023-05-23 CN disclosed
CN-112409364-B Hexaazanaphthalene derivative and preparation method and application thereof 常州大学 2022-02-11 CN disclosed
CN-111471019-B 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof 浙江工业大学 2021-10-01 CN disclosed
CN-111620894-B Photosensitizer based on thiadiazole [3,4-g ] quinoxaline structure and preparation method and application thereof 中国科学院理化技术研究所 2021-09-07 CN disclosed
US-20210238481-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (JP) 2021-08-05 US disclosed
EP-0119271-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS. STANFORD RES INST INT (US) 1984-09-26 EP disclosed
WO-1984001161-A1 LIQUID CRYSTALLINE POLY(2,6-BENZOTHIAZOLE) COMPOSITIONS, PROCESS AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
WO-1984001160-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
WO-1984001162-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 WO disclosed
US-4020068-A Chromogenic furoquinoxalines NCR CORPORATION (US) 1977-04-26 US disclosed
US-4001268-A SUBSTITUTED PHENYL-BENZIMIDAZO COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-01-04 US 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-20210238481-A1 LIQUID CRYSTALLINE MEDIUM NEFM, CCNI, MYT1 CYP3A4 328/4885TSHR 3699/4885ALDH1A1 1933/4885
US-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 CYP3A4 328/4885TSHR 3699/4885ALDH1A1 1933/4885

“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.