Sugi Predict

Sugi Predict / Compounds / SCHEMBL3291900

SCHEMBL3291900

SCHEMBL3291900

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 1.00
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ GPR35 Q9HC97 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ CES2 O00748 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPSR1 Q6W5P4 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
SCHEMBL865986 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL31016518 0.88 CYP1A2 (0.79) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL10348330 0.86 CYP1A2 (0.74) CYP1A2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6292292 0.86 CYP1A2 (0.75) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL2130852 0.85 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL9797804 0.85 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL11597118 0.85 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL31290764 0.85 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL6037267 0.84 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTGPR35TP53
SCHEMBL6445351 0.84 CYP1A2 (0.72) CYP1A2ALDH1A1MAPTGPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 — — EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 — — WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 — — US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 — — US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 — — US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 — — US claimed
US-5256799-A Preparation of 6-hydroxyindolines and their use for preparation of novel laser dyes THE UNITED STATES OF AMERICAS AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-10-26 — — US claimed
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 — — EP disclosed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 — — WO disclosed
CN-110392725-B Photoalignment composition for stabilizing pretilt angle in liquid crystal layer 罗利克技术有限公司 2023-12-01 — — CN disclosed
CN-115537211-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element and method for producing same, polymer and diamine JSR株式会社 2022-12-30 — — CN disclosed
CN-115103907-A Compositions and methods for enhancing immune activity 金橘生物科技公司 2022-09-23 — — CN disclosed
EP-0519971-B1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE INST SOZIAL MED FORSCHUNG SA (CH) 1997-01-15 — — EP disclosed
US-5252536-A Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 — — US disclosed
EP-0549892-A1 Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 — — EP disclosed
EP-0519971-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE. EEC PHARMA SA (FR) 1992-12-30 — — EP disclosed
WO-1991013886-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE EEC-PHARMA S.A. (FR) 1991-09-19 — — WO disclosed
US-4086209-A Novel nitrogen-containing aromatic polymers and process for their preparation TEIJIN LIMITED (JA) 1978-04-25 — — 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 (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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CYP1A2 1066/4885ALDH1A1 1569/4885MAPT 4074/4885

“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.