SCHEMBL590002

SCHEMBL590002

O=CNCCN1C=NCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL22426539 0.82
SCHEMBL6007589 0.81
SCHEMBL11648940 0.73 ALDH1A1 (0.42) ADH1BADH1AADH7
SCHEMBL11643386 0.71 ALDH1A1 (0.37)
SCHEMBL1626873 0.71
SCHEMBL11917290 0.69 CYP2C19 (0.37)
Sulfuric Acid SCHEMBL5604726 0.68
Formic Acid SCHEMBL9637281 0.68
SCHEMBL10610173 0.67
SCHEMBL598305 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-20210395652-A1 TEXTILE TREATMENT COMPOSITIONS ANGRES, ISAAC A, PHD 2021-12-23 US disclosed
US-11142498-B2 Keratin dyeing compounds, compositions containing them, and method and use thereof WELLA OPERATIONS US, LLC (US) 2021-10-12 US disclosed
US-20200247749-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF WELLA OPERATIONS US, LLC 2020-08-06 US disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-20180153788-A1 METHOD OF COLORING HAIR WITH DIRECT DYE COMPOUNDS NOXELL CORPORATION 2018-06-07 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US, LLC 2018-04-19 US disclosed
US-9943472-B2 Acid perspiration resistant fluorescent compounds for treating hair NOXELL CORPORATION (US) 2018-04-17 US disclosed
US-20180078476-A1 Method of Increasing Uptake of Washfastness of Hair Health Compounds THE PROCTER & GAMBLE COMPANY 2018-03-22 US disclosed
US-20110048447-A1 Method for Smoothing Fibers Containing Keratin HENKEL AG & CO. KGAA (DE) 2011-03-03 US disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
EP-1795579-A1 Asphaltene dispersants for petroleum products Rohm and Haas Company (US) 2007-06-13 EP disclosed
US-20070124990-A1 Asphaltene dispersants for petroleum products CHHEDA BHARATI D 2007-06-07 US disclosed
US-20060150344-A1 Method for smoothing fibers containing keratin HENKEL AG & CO. KGAA (DE) 2006-07-13 US disclosed
US-6458343-B1 Quaternary compounds, compositions containing them, and uses thereof GOLDSCHMIDT CHEMICAL CORPORATION 2002-10-01 US disclosed
US-6451739-B1 ACTIVE QUATERNARY AMMONIUM COMPOUND CONCENTRATES SUCH AS MEPIQUAT OR CHLORMEQUAT AND AT LEAST ONE AUXILIARY SELECTED FROM ALKYLGLUCOSIDES, AND ALKYLSULFONATES OR ALKYLARYLSULFONATES BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 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 (10 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-20070124990-A1 Asphaltene dispersants for petroleum products ARNT, IPO7, IPO5 ADH1B 1360/4885ADH1A 449/4885ADH7 187/4885
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds WASHC4, SHH, WASHC5 ADH1B 105/4885ADH1A 278/4885ADH7 29/4885
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES IK, KRT18, CYBA ADH1B 43/4885ADH1A 1091/4885ADH7 27/4885
US-20210395652-A1 TEXTILE TREATMENT COMPOSITIONS PPM1D, SMARCC2, REV1 ADH1B 3637/4885ADH1A 2188/4885ADH7 3462/4885
US-20180078476-A1 Method of Increasing Uptake of Washfastness of Hair Health Compounds CD44, NHERF1, WASHC4 ADH1B 1491/4885ADH1A 765/4885ADH7 1185/4885
US-20060150344-A1 Method for smoothing fibers containing keratin KRT18, KIF5B, KIF5A ADH1B 4449/4885ADH1A 4633/4885ADH7 4494/4885
US-11142498-B2 Keratin dyeing compounds, compositions containing them, and method and use thereof KRT18, MARK4, MKI67 ADH1B 224/4885ADH1A 776/4885ADH7 106/4885
US-20180153788-A1 METHOD OF COLORING HAIR WITH DIRECT DYE COMPOUNDS SHH, TYR, POLR1C ADH1B 136/4885ADH1A 829/4885ADH7 28/4885
US-20200247749-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF KRT18, PRKDC, MKI67 ADH1B 253/4885ADH1A 819/4885ADH7 114/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ADH1B 826/4885ADH1A 677/4885ADH7 728/4885

“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.