SCHEMBL1681206

SCHEMBL1681206

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 13/20 1.00
▸ APP P05067 1/20 0.67
▸ EGFR P00533 1/20 0.64
▸ VCP P55072 1/20 0.61
▸ MAPT P10636 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PTGS2 P35354 2/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ CYP19A1 P11511 1/20 0.56
▸ TLR4 O00206 1/20 0.55
▸ TLR2 O60603 1/20 0.55

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
SCHEMBL1681205 1.00 FBP1 (1.00) FBP1APPEGFRVCPMAPT
SCHEMBL6910815 0.89 FBP1 (0.78) FBP1EGFRVCPMAPTALDH1A1
SCHEMBL6910818 0.89 FBP1 (0.78) FBP1EGFRVCPMAPTALDH1A1
SCHEMBL9170804 0.86 APP (0.78) FBP1APPMAPTNPC1RAB9A
SCHEMBL14947048 0.86 APP (0.78) FBP1APPMAPTNPC1RAB9A
SCHEMBL458178 0.86 APP (0.78) FBP1APPMAPTNPC1RAB9A
SCHEMBL458177 0.86 APP (0.78) FBP1APPMAPTNPC1RAB9A
SCHEMBL9170800 0.86 APP (0.78) FBP1APPMAPTNPC1RAB9A
SCHEMBL7622323 0.82 APP (0.95) FBP1APPMAPTNPC1RAB9A
SCHEMBL11121103 0.82 APP (0.95) FBP1APPMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521208-B Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2023-09-01 — — CN claimed
CN-115521208-A Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2022-12-27 — — CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 — — CN claimed
CN-104277072-B A kind of preparation method of (E)-2-aryl vinyl phosphate derivatives JIANGSU CHINASUN SPECIALTY PRODUCTS CO.,LTD. (CN) 2016-04-13 — — CN claimed
CN-104277072-A Method for preparing (E)-2-aryl vinyl phosphonate derivatives CHINASUN SPECIALTY PRODUCTS CO LTD 2015-01-14 — — CN claimed
CN-101628904-B Synthesis method of 2-nitro-3-aryl-2,3,5,7-tetrahydrobenzofuran-4-one derivative UNIV SOOCHOW 2012-04-25 — — CN claimed
CN-101343263-B Method for synthesizing 5-nitro-4, 5-dihydrofuran derivative UNIV SOOCHOW 2012-04-04 — — CN claimed
CN-101628904-A Synthesis method of 2-nitro-3-aryl-2,3,5,7-tetrahydrobenzofuran-4-one derivative UNIV SOOCHOW 2010-01-20 — — CN claimed
CN-101343263-A Method for synthesis of 5-nitryl-4, 5-dihydrofuran derivant UNIV SOOCHOW (CN) 2009-01-14 — — CN claimed
CN-117983295-A Chiral nanoparticle catalytic system for asymmetric Michael addition reaction and application thereof 中国科学院大连化学物理研究所 2024-05-07 — — CN disclosed
CN-115521208-B Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2023-09-01 — — CN disclosed
CN-116041241-A Method for synthesizing pyrrole compound by solid acid catalysis 浙江工业大学 2023-05-02 — — CN disclosed
WO-2023012820-A1 A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2023-02-09 — — WO disclosed
CN-115521208-A Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2022-12-27 — — CN disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 — — EP disclosed
WO-2006015827-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-02-16 — — WO disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 — — WO disclosed
US-4442264-A UNSATURATED AROMATIC NITRO OR CHLORINE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1984-04-10 — — US disclosed
US-3931220-A FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B FBP1 1093/4885APP 1442/4885EGFR 4700/4885

“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.

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