SCHEMBL3029646

SCHEMBL3029646

[CH2]c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ TSHR P16473 7/20 0.55
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ HPGD P15428 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ AR P10275 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3978069 0.83 TSHR (0.60) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL5178027 0.80 TSHR (0.56) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL11293963 0.78 MAPT (0.60) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL557939 0.78 TSHR (0.72) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL7662542 0.77 MAPT (0.58) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL2948384 0.77 TSHR (0.69) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL6902179 0.76 TSHR (0.42) MAPTTSHRCYP3A4HPGDALDH1A1
SCHEMBL214252 0.75 TSHR (0.59) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL845718 0.75 ALDH1A1 (0.71) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL1459853 0.75 MAPT (0.56) MAPTTSHRHSD17B10CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235756-A1 COMPOUNDS FOR THE TREATMENT OF HIV THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-12-07 — — WO claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
CN-103319415-B Production process of 2-n-propyl-4-methyl-6 (1-methylbenzimidazole-2-yl) -benzimidazole HAIMEN CITY CHEMGOO PHARMA CO LTD 2015-04-29 — — CN claimed
CN-103319415-A Production process of 2-n-propyl-4-methyl-6 (1-methylbenzimidazole-2-yl) -benzimidazole HAIMEN CITY CHEMGOO PHARMA CO LTD 2013-09-25 — — CN claimed
WO-2023235756-A1 COMPOUNDS FOR THE TREATMENT OF HIV THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-12-07 — — WO disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP disclosed
CN-108349981-B Novel pyrazolo [3, 4-d ] pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-03-30 — — CN disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP disclosed
CN-110831940-A Novel substituted azaindoline derivatives as NIK inhibitors 詹森药业有限公司 2020-02-21 — — CN disclosed
CN-110114647-A Temperature detection material, temperature detection ink using same, temperature indicator, method for manufacturing temperature detection material, and article management system 株式会社日立产机系统 2019-08-09 — — CN disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 — — CN disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
US-7064139-B2 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-06-20 — — US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO 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-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885TSHR 743/4885HSD17B10 801/4885

“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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