SCHEMBL891797

SCHEMBL891797

[O]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.65
▸ LMNA P02545 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ VCAM1 P19320 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL212845 0.87 CYP19A1 (0.81) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL9789472 0.84 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL9789477 0.84 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL29395454 0.84 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL16541066 0.84 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1ALDH1A1
Nitrogen SCHEMBL28764717 0.81 CYP19A1 (0.72) CYP19A1LMNATSHRVCAM1ALDH1A1
Formaldehyde SCHEMBL27742852 0.81 CYP19A1 (0.72) CYP19A1LMNATSHRVCAM1ALDH1A1
Benzene SCHEMBL2793854 0.81 CYP19A1 (0.72) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL5958784 0.79 CYP19A1 (1.00) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL27543846 0.79 CYP19A1 (0.68) CYP19A1LMNATSHRVCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257351-A1 POLYDISULFIDE MATERIAL HAVING EXCELLENT OPTICAL PROPERTIES AND PREPARATION METHOD THEREFOR 大连理工大学 2022-12-15 — — WO claimed
CN-114957344-A Trinuclear cobalt compound, electron-withdrawing group multi-polyester material and preparation method thereof 中国科学院长春应用化学研究所 2022-08-30 — — CN claimed
CN-113461926-B Chemical synthesis method of poly beta-hydroxy fatty acid ester 大连理工大学 2022-08-02 — — CN claimed
CN-114315915-A Binuclear Schiff base cobalt complex and preparation method and application thereof 中国科学院长春应用化学研究所 2022-04-12 — — CN claimed
WO-2021042658-A1 METHOD FOR SYNTHESIZING ALIPHATIC POLYESTER BLOCK COPOLYMER REGULATED BY CARBON MONOXIDE 华中科技大学 2021-03-11 — — WO claimed
US-5709848-A COMPOUNDS FOR COSMETICS FOR SKINS L'OREAL (FR) 1998-01-20 — — US claimed
EP-0700896-B1 Photochemically cleavable agents able to chelate metals and compositions containing them OREAL (FR) 1996-11-06 — — EP claimed
EP-0700896-A1 Photochemically cleavable metal chelating agents and compositions containing them L'OREAL (FR) 1996-03-13 — — EP claimed
US-11982880-B2 Accommodating cavity lens shaped with photocleavable insert ONEFOCUS VISION, INC. (US) 2024-05-14 — — US disclosed
US-11970432-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-04-30 — — US disclosed
WO-2023134011-A1 BINUCLEAR SCHIFF BASE COBALT COMPLEX, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院长春应用化学研究所 2023-07-20 — — WO disclosed
US-20230202968-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 — — US disclosed
US-11629119-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-18 — — US disclosed
CN-115779962-A Bi-component organic catalytic system consisting of hydrogen bond donor-nucleophilic bifunctional reagent and organic boron reagent and application thereof 浙江大学 2023-03-14 — — CN disclosed
US-4115368-A Crosslinkable polymers of compounds containing 5-maleimidyl-isophthalic acid derivatives CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
US-4115359-A Crosslinkable polymers prepared from maleimidyl substituted trimellitic acid compounds CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
US-4115231-A Crosslinkable mixtures of oligomers or polymers and diamines CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
US-4111771-A CROSSLINKABLE TETRA-IMIDYL DERIVATIVES AND CROSSLINKED POLYMERS THEREFROM CIBA-GEIGY CORPORATION (US) 1978-09-05 — — US disclosed
US-4110188-A CROSSLINKABLE MIXTURES OF BIS-IMIDYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 — — US disclosed
US-4107174-A POLYMER MONOMERS CIBA-GEIGY CORPORATION (US) 1978-08-15 — — 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 (3 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-11970432-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide ALKBH5, ALKBH2, ADRB2 CYP19A1 245/4885LMNA 879/4885TSHR 2615/4885
US-11629119-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide ALKBH5, ALKBH2, ADRB2 CYP19A1 245/4885LMNA 879/4885TSHR 2615/4885
US-20230202968-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE ALKBH5, ALKBH2, ADRB2 CYP19A1 247/4885LMNA 905/4885TSHR 2613/4885

“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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