SCHEMBL7665273

SCHEMBL7665273

[O]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 7/20 0.55
TSHR P16473 3/20 0.55
GPR35 Q9HC97 2/20 0.55
MAPK1 P28482 2/20 0.55
HIF1A Q16665 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27961047 0.88 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL47090 0.86 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL8593072 0.86 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5333075 0.86 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL29638033 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10891708 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10890268 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL188306 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL3124261 0.82 CYP1A2 (0.67) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL8597496 0.82 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925667-B Ratio type near infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2024-02-02 CN claimed
CN-115925667-A Ratio type near-infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2023-04-07 CN claimed
CN-115925667-B Ratio type near infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2024-02-02 CN disclosed
CN-115925667-A Ratio type near-infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2023-04-07 CN disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
WO-1996040678-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5569772-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 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 (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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 CYP1A2 2065/4885TDP1 2936/4885ALDH1A1 115/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 CYP1A2 2758/4885TDP1 2722/4885ALDH1A1 170/4885

“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.