SCHEMBL2587087

SCHEMBL2587087

Cc1cccc2c1Nc1c(C)cccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
ACHE P22303 2/20 0.42
MAOA P21397 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 2/20 0.42
NOX1 Q9Y5S8 2/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
PTGS2 P35354 1/20 0.42
SNCA P37840 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
SCHEMBL29636443 1.00 BCHE (0.42) BCHEMEN1KMT2ACYP1A2ACHE
Iodide SCHEMBL13386176 0.98 BCHE (0.41) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL194062 0.85 NOX1 (0.61) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL31331504 0.85 NOX1 (0.61) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL2588452 0.84 GABRA1 (0.36) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL2592493 0.84 PDK2 (0.41) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL9475260 0.82 NOX1 (0.42) BCHEMEN1KMT2ACYP1A2ACHE
Iodide SCHEMBL17698406 0.82 CYP1A2 (0.34) BCHEMEN1KMT2ACYP1A2ACHE
Iodide SCHEMBL9932003 0.82 PDK2 (0.39) BCHEMEN1KMT2ACYP1A2ACHE
SCHEMBL11818936 0.82 ALDH1A1 (0.49) BCHEMEN1KMT2ACYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US claimed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US claimed
EP-3830232-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS The Procter & Gamble Company (US) 2021-06-09 EP claimed
CN-112513238-A Stable compositions comprising leuco compounds 美利肯公司 2021-03-16 CN claimed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US claimed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US claimed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 WO claimed
US-20230392018-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY 2023-12-07 US disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 EP disclosed
US-20220173332-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2022-06-02 US disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 WO disclosed
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US disclosed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 US disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 US disclosed
CN-101595386-B Method for detecting phenothiazine-derivative color, and color-developer reagent used in method ARKRAY INC 2012-05-09 CN disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 WO disclosed
US-20100112622-A1 METHOD FOR DETECTING PHENOTHIAZINE-DERIVATIVE COLOR AND COLOR-DEVELOPER REAGENT USED THEREIN ARKRAY, INC. (JP) 2010-05-06 US disclosed
CN-101595386-A The detection method of phenothiazine derivative pigment and be used for the color-developer reagent of this method ARKRAY INC (JP) 2009-12-02 CN disclosed
EP-2108952-A1 METHOD FOR DETECTION OF PHENOTHIAZINE DERIVATIVE DYE, AND COLOR-DEVELOPER REAGENT FOR USE IN THE METHOD Arkray, Inc. (JP) 2009-10-14 EP 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 (4 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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 BCHE 2832/4885MEN1 4087/4885KMT2A 865/4885
US-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 BCHE 1570/4885MEN1 3873/4885KMT2A 806/4885
US-20100112622-A1 METHOD FOR DETECTING PHENOTHIAZINE-DERIVATIVE COLOR AND COLOR-DEVELOPER REAGENT USED THEREIN TH, TYR, HPD BCHE 3329/4885MEN1 4351/4885KMT2A 2700/4885
US-20220173332-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING DEVICE, AND MOVING OBJECT TYR, NR2E3, AOX1 BCHE 1755/4885MEN1 1378/4885KMT2A 1539/4885

“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.