SCHEMBL3136616

SCHEMBL3136616

O=[N+]([O-])c1ccc(CCl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
ALDH1A1 P00352 7/20 0.58
TSHR P16473 4/20 0.58
TDP1 Q9NUW8 2/20 0.55
GPR35 Q9HC97 2/20 0.53
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL7783341 0.87 CYP1A2 (0.60) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL27961047 0.86 CYP1A2 (0.68) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL3124261 0.85 CYP1A2 (0.67) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL9192755 0.85 TSHR (0.58) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL5333075 0.84 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL28379495 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL30291130 0.83 CYP1A2 (0.65) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL679338 0.83 CYP1A2 (0.65) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL7665273 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRTDP1GPR35
SCHEMBL29638033 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRTDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115106093-A Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2022-09-27 CN claimed
CN-115106093-B Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2023-12-22 CN disclosed
CN-117255715-A Catalytic material suitable for hydrogenation reactions comprising Ni, one or more additional metals M and a specific oxidation support material 巴斯夫欧洲公司 2023-12-19 CN disclosed
CN-116731727-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and compound JSR株式会社 2023-09-12 CN disclosed
CN-115105451-B Plant composite extract with relieving effect and preparation method and application thereof 广州悦荟化妆品有限公司 2023-02-10 CN disclosed
CN-115400178-A Anti-allergic traditional Chinese medicine composition and preparation method and application thereof 郑州铁路职业技术学院 2022-11-29 CN disclosed
US-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY 2022-09-29 US disclosed
CN-115105451-A Plant composite extract with relieving effect, preparation method and application 广州悦荟化妆品有限公司 2022-09-27 CN disclosed
CN-115106093-A Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2022-09-27 CN disclosed
CN-114767740-A Preparation method of kava compound extract, compound extract and application 广州伽能生物科技有限公司 2022-07-22 CN disclosed
EP-0168765-A2 Process for the preparation of S-substituted isothio ureas MOBAY CORPORATION (US) 1986-01-22 EP disclosed
EP-0045129-B1 MASKED ANTIFOGGANT COMPOUNDS FOR SILVER PHOTOGRAPHIC SYSTEMS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-09-11 EP disclosed
EP-0048999-B1 NOVEL BETA-LACTAM COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND MEDICINES CONTAINING THEM Sanraku Incorporated (JP) 1985-07-31 EP disclosed
US-4501896-A Phenylmercaptotetrazolo- and nitroindazolo masked development/image modifiers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-26 US disclosed
EP-0128272-A1 2,4-Diaminobenzene derivates, their production and use as coupling substances Henkel Kommanditgesellschaft auf Aktien (DE) 1984-12-19 EP disclosed
US-4426390-A ANTIBIOTIC SANRAKU-OCEAN CO., LTD. (JP) 1984-01-17 US disclosed
EP-0085407-A1 Derivatives of antibiotics 0A-6129A, 0A-6129B1 and 0A-6129B2 and their preparation method SANRAKU-OCEAN CO., LTD. (JP) 1983-08-10 EP disclosed
US-4343893-A RELEASED VIA ELECTRON TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-10 US disclosed
EP-0048999-A1 Novel beta-lactam compounds, process for production thereof, and medicines containing them Sanraku Incorporated (JP) 1982-04-07 EP disclosed
EP-0045129-A2 Masked antifoggant compounds for silver photographic systems E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-03 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 (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-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES NSUN3, TARBP1, TRDMT1 CYP1A2 4678/4885ALDH1A1 3034/4885TSHR 2920/4885

“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.