SCHEMBL8054600

SCHEMBL8054600

Cc1ccc([N+](=O)[O-])c(I)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ GPR35 Q9HC97 1/20 0.45
▸ ACHE P22303 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KAT2B Q92831 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41

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
SCHEMBL31090841 0.83 TSHR (0.67) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL771632 0.83 TSHR (0.67) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL11662435 0.78 TDP1 (0.52) TSHRCYP3A4GPR35TDP1MAPT
SCHEMBL29562216 0.78 TSHR (0.43) TSHRCYP3A4GPR35ACHETDP1
SCHEMBL1298366 0.78 TSHR (0.43) TSHRCYP3A4GPR35ACHETDP1
SCHEMBL557939 0.78 TSHR (0.72) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL2569715 0.77 GPR35 (0.59) TSHRCYP3A4GPR35HSD17B10TDP1
SCHEMBL27599498 0.76 TSHR (0.62) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL359179 0.75 TSHR (0.67) TSHRCYP3A4GPR35ACHEHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143817-A Organic compound, mixture, composition and organic electronic device comprising same 广州华睿光电材料有限公司 2023-05-23 — — CN disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 — — US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 — — EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 — — CN disclosed
CN-107325002-A A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material 南昌大学 2017-11-07 — — CN disclosed
WO-2016163682-A1 EFFICIENT SYNTHESIS METHOD FOR CARBAZOLE DERIVATIVES 한양대학교 에리카산학협력단 2016-10-13 — — WO disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 — — EP disclosed
US-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 — — US disclosed
US-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 — — 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885CYP3A4 592/4885GPR35 3785/4885

“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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