SCHEMBL4259186

SCHEMBL4259186

[NH]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ TSHR P16473 3/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ GPR35 Q9HC97 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ TDP1 Q9NUW8 3/20 0.61
▸ HIF1A Q16665 1/20 0.59
▸ TXNRD1 Q16881 1/20 0.57
▸ TXNRD3 Q86VQ6 1/20 0.57
▸ TXNRD2 Q9NNW7 1/20 0.57
▸ CYP1A2 P05177 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTPRC P08575 1/20 0.45
▸ S100A4 P26447 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KMT2A Q03164 3/20 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
SCHEMBL11496559 0.80 TSHR (0.41) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL600206 0.79 TDP1 (0.68) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL29809877 0.79 TDP1 (0.68) ALDH1A1TSHRMAPK1GPR35TP53
2,4-Dinitrophenol SCHEMBL27880483 0.79 GPR35 (0.92) ALDH1A1TSHRMAPK1GPR35TP53
2,4-Dinitrophenol SCHEMBL29361027 0.78 GPR35 (1.00) ALDH1A1TSHRMAPK1GPR35TP53
2,4-Dinitrophenol SCHEMBL1517938 0.78 GPR35 (1.00) ALDH1A1TSHRMAPK1GPR35TP53
2,4-Dinitrophenol SCHEMBL77643 0.78 GPR35 (1.00) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL5958796 0.77 TDP1 (0.65) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL11640997 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL4054277 0.77 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1GPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 — — CN claimed
CN-107698567-B Isatin azole alcohol compound and preparation method and medical application thereof 西南大学 2020-09-15 — — CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 — — EP claimed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 — — US claimed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 — — WO claimed
US-5994430-A POLYMER CONTAINING A UNSATURATED PHENOL COMPOUND CLARIANT FINANCE BVI) LIMITED (VG) 1999-11-30 — — US claimed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 — — EP claimed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 — — WO claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 — — US claimed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 — — US claimed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 — — US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 — — US claimed
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 — — CN disclosed
EP-3037428-B1 MACROLIDE COMPOUND PULIKE BIOLOGICAL ENG INC (CN) 2020-09-23 — — EP disclosed
CN-107698567-B Isatin azole alcohol compound and preparation method and medical application thereof 西南大学 2020-09-15 — — CN disclosed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 — — US disclosed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 — — US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 ALDH1A1 3443/4885TSHR 3786/4885MAPK1 848/4885

“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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