Sugi Predict

Sugi Predict / Compounds / SCHEMBL3124261

SCHEMBL3124261

SCHEMBL3124261

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.58
▸ GPR35 Q9HC97 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 3/20 0.55
▸ HIF1A Q16665 1/20 0.53
▸ TXNRD1 Q16881 1/20 0.52
▸ TXNRD3 Q86VQ6 1/20 0.52
▸ TXNRD2 Q9NNW7 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TTR P02766 1/20 0.48
▸ ALOX5 P09917 1/20 0.46
▸ CES2 O00748 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
SCHEMBL30291130 0.87 CYP1A2 (0.65) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL679338 0.87 CYP1A2 (0.65) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL27961047 0.86 CYP1A2 (0.68) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL3136616 0.85 CYP1A2 (0.62) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL8832188 0.85 GPR35 (0.58) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL260788 0.84 CYP1A2 (0.51) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL29367937 0.84 CYP1A2 (0.51) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL5333075 0.84 CYP1A2 (0.66) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL28813204 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL14713552 0.82 TDP1 (0.52) CYP1A2ALDH1A1TSHRTDP1MAPT

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 76 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-108238963-A 2- nitro -4- aminobenzaldehyde pharmaceutical intermediate synthetic methods 成都奥卡特科技有限公司 2018-07-03 — — 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-114507149-A Diamine compound, polymer, alignment agent, alignment film, and liquid crystal display element 奇美实业股份有限公司 2022-05-17 — — CN disclosed
US-20210380632-A1 METHOD FOR PRODUCING LONG-CHAIN PEPTIDE KANEKA CORPORATION (JP) 2021-12-09 — — 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
EP-3778620-A1 METHOD FOR PRODUCING LONG-CHAIN PEPTIDE KANEKA CORPORATION (JP) 2021-02-17 — — EP disclosed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 — — WO disclosed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 — — US 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
US-4632900-A Process for the production of images after electrodeposition of positive photoresist on electrically conductive surface CIBA-GEIGY CORPORATION (US) 1986-12-30 — — US disclosed
EP-0155231-A2 Image-producing process CIBA-GEIGY AG (CH) 1985-09-18 — — EP disclosed
US-4436751-A Nitrobenzyl monates antibacterial compounds BEECHAM GROUP LIMITED (GB) 1984-03-13 — — US disclosed
US-4430114-A PREEMERGENCE, 5-//1-ETHYLPROPYL/AMINO/-4,6-DINITRO-O-TOLYLACETONITRILE AMERICAN CYANAMID COMPANY (US) 1984-02-07 — — US disclosed
US-4361645-A Color photography element with induced spectrosensitization OMNITEL CORPORATION 1982-11-30 — — US disclosed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 — — 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 2065/4885ALDH1A1 115/4885GPR35 2355/4885
US-20210380632-A1 METHOD FOR PRODUCING LONG-CHAIN PEPTIDE VIP, PTMS, NGLY1 CYP1A2 4873/4885ALDH1A1 4732/4885GPR35 2385/4885

“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.